Sr-123781a

Structural Information

Molecular Formula

C₁₂₇H₂₂₀O₁₃₄S₁₇

SMILES

COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC)OC)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(=O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]7[C@@H]([C@@H]([C@@H](O[C@H]7C(=O)O)O[C@@H]8[C@H](O[C@@H]([C@H]([C@H]8OC)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)COC)OC)OC)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC

InChI

InChI=1S/C127H220O134S17/c1-183-32-46-60(235-114-95(203-21)76(192-10)62(48(223-114)34-185-3)237-116-97(205-23)78(194-12)64(50(225-116)36-187-5)239-118-99(207-25)80(196-14)66(52(227-118)38-189-7)241-120-101(209-27)82(198-16)68(55(229-120)41-216-264(138,139)140)244-124-106(258-275(171,172)173)89(254-271(159,160)161)71(57(231-124)43-218-266(144,145)146)246-125-107(259-276(174,175)176)90(255-272(162,163)164)72(58(232-125)44-219-267(147,148)149)247-126-109(261-278(180,181)182)91(256-273(165,166)167)73(252-269(153,154)155)59(234-126)45-220-268(150,151)152)74(190-8)94(202-20)113(222-46)236-61-47(33-184-2)224-115(96(204-22)75(61)191-9)238-63-49(35-186-4)226-117(98(206-24)77(63)193-11)240-65-51(37-188-6)228-119(100(208-26)79(65)195-13)242-67-54(40-215-263(135,136)137)230-121(102(210-28)81(67)197-15)248-86-84(200-18)104(212-30)123(251-92(86)110(128)129)245-70-56(42-217-265(141,142)143)233-127(108(260-277(177,178)179)88(70)253-270(156,157)158)249-87-85(201-19)103(211-29)122(250-93(87)111(130)131)243-69-53(39-214-262(132,133)134)221-112(213-31)105(83(69)199-17)257-274(168,169)170/h46-109,112-127H,32-45H2,1-31H3,(H,128,129)(H,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)(H,141,142,143)(H,144,145,146)(H,147,148,149)(H,150,151,152)(H,153,154,155)(H,156,157,158)(H,159,160,161)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105+,106-,107-,108-,109-,112+,113-,114+,115+,116+,117-,118+,119+,120-,121-,122-,123-,124+,125-,126-,127-/m1/s1

InChIKey

XBBRXFNQGWDDCZ-WIBOLJRASA-N

Compound name

(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5S,6R)-2-carboxy-6-[(2R,3R,4S,5S,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-3,4-disulfooxy-6-(sulfooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

Related CIDs

• CID 145996625