Refchem:976323

Structural Information

Molecular Formula

C₁₀₉H₁₈₀N₈O₈₀

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)NC(=O)C)O)CO)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O

InChI

InChI=1S/C109H180N8O80/c1-27(131)110-35(12-118)60(146)80(42(145)16-122)184-94-56(114-31(5)135)69(155)82(47(21-127)177-94)187-99-77(163)89(190-103-92(74(160)64(150)43(17-123)176-103)191-96-58(116-33(7)137)71(157)81(46(20-126)179-96)186-98-75(161)73(159)65(151)52(183-98)26-173-107(104(166)167)9-36(139)53(111-28(2)132)86(193-107)61(147)39(142)13-119)68(154)51(182-99)25-172-102-93(192-97-59(117-34(8)138)72(158)84(49(23-129)180-97)189-101-79(165)91(67(153)45(19-125)175-101)197-109(106(170)171)11-38(141)55(113-30(4)134)88(195-109)63(149)41(144)15-121)76(162)85(50(24-130)181-102)185-95-57(115-32(6)136)70(156)83(48(22-128)178-95)188-100-78(164)90(66(152)44(18-124)174-100)196-108(105(168)169)10-37(140)54(112-29(3)133)87(194-108)62(148)40(143)14-120/h35-103,118-130,139-165H,9-26H2,1-8H3,(H,110,131)(H,111,132)(H,112,133)(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,138)(H,166,167)(H,168,169)(H,170,171)/t35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,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+,107+,108-,109-/m0/s1

InChIKey

ILPXSZJGWMMQCR-CJWWKFRNSA-N

Compound name

(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 91856786