16 tar tricyclo-dna-mism fam

Structural Information

Molecular Formula

C₂₂₁H₂₄₆N₅₁O₁₀₀P₁₅

SMILES

C[C@H]1C[C@@]2(C[C@@H](O[C@@H]2[C@]1(C)OP(=O)(O)O[C@]34C[C@@H]5C[C@@]5([C@H]3O[C@H](C4)N6C=CC(=NC6=O)N)OP(=O)(O)O[C@]78C[C@@H]9C[C@@]9([C@H]7O[C@H](C8)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)O)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@@]1([C@H](C[C@]2([C@@H]1O[C@H](C2)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O)C)C

InChI

InChI=1S/C221H246N51O100P15/c1-92-83-267(186(290)254-155(92)275)140-77-203(356-378(304,305)360-208-54-99(208)40-191(67-130(328-163(191)208)257-24-14-120(222)244-176(257)280)341-158(278)97-8-11-114-117(34-97)221(342-159(114)279)115-12-9-112(273)35-118(115)324-119-36-113(274)10-13-116(119)221)49-108-63-217(108,172(203)337-140)362-376(300,301)346-193-38-96(5)190(7,161(193)326-144(81-193)271-90-242-147-150(233)236-87-239-153(147)271)343-373(294,295)348-195-41-100-55-209(100,164(195)329-132(69-195)259-26-16-122(224)246-178(259)282)361-375(298,299)345-192-37-95(4)189(6,160(192)325-143(80-192)270-89-241-146-149(232)235-86-238-152(146)270)344-374(296,297)349-196-42-101-56-210(101,165(196)330-133(70-196)260-27-17-123(225)247-179(260)283)364-385(318,319)358-205-51-110-65-219(110,174(205)339-142(79-205)269-85-94(3)157(277)256-188(269)292)371-383(314,315)354-201-45-104-59-213(104,168(201)333-138(75-201)265-32-22-128(230)252-184(265)288)367-379(306,307)350-197-44-103-58-212(103,167(197)332-134(71-197)261-28-18-124(226)248-180(261)284)366-382(312,313)353-200-48-107-62-216(107,171(200)336-137(74-200)264-31-21-127(229)251-183(264)287)370-387(322,323)359-206-52-111-66-220(111,175(206)340-145(82-206)272-91-243-148-151(234)237-88-240-154(148)272)372-384(316,317)355-202-46-105-60-214(105,169(202)334-139(76-202)266-33-23-129(231)253-185(266)289)368-380(308,309)351-198-43-102-57-211(102,166(198)331-135(72-198)262-29-19-125(227)249-181(262)285)365-381(310,311)352-199-47-106-61-215(106,170(199)335-136(73-199)263-30-20-126(228)250-182(263)286)369-386(320,321)357-204-50-109-64-218(109,173(204)338-141(78-204)268-84-93(2)156(276)255-187(268)291)363-377(302,303)347-194-39-98-53-207(98,293)162(194)327-131(68-194)258-25-15-121(223)245-177(258)281/h8-36,83-91,95-96,98-111,130-145,160-175,273-274,293H,37-82H2,1-7H3,(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H2,222,244,280)(H2,223,245,281)(H2,224,246,282)(H2,225,247,283)(H2,226,248,284)(H2,227,249,285)(H2,228,250,286)(H2,229,251,287)(H2,230,252,288)(H2,231,253,289)(H2,232,235,238)(H2,233,236,239)(H2,234,237,240)(H,254,275,290)(H,255,276,291)(H,256,277,292)/t95-,96-,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,160+,161+,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207+,208+,209+,210+,211+,212+,213+,214+,215+,216+,217+,218+,219+,220+/m0/s1

InChIKey

AIYDPJCOJQCIQC-PBAVIYAYSA-N

Compound name

[(1S,2R,4R,6S,8R)-2-[[(1S,2R,4S,6S,8R)-2-[[(2R,3aS,5S,6R,6aS)-6-[[(1S,2R,4S,6S,8R)-2-[[(2R,3aS,5S,6R,6aS)-6-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1R,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(6-aminopurin-9-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-2-(6-aminopurin-9-yl)-5,6-dimethyl-3,4,5,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-2-(6-aminopurin-9-yl)-5,6-dimethyl-3,4,5,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 49768301