Gpi-0100

Structural Information

Molecular Formula

C₈₁H₁₃₃NO₃₅

SMILES

CCCCCCCCCCCCNC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C([C@]2(C)C=O)CC[C@@]4(C3CC=C5[C@]4(C[C@H]([C@@]6(C5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O)O)O)O)C)C)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O

InChI

InChI=1S/C81H133NO35/c1-10-11-12-13-14-15-16-17-18-19-28-82-66(101)62-57(98)61(113-67-54(95)49(90)41(86)32-104-67)64(116-70-55(96)51(92)50(91)43(31-83)109-70)72(114-62)110-47-23-24-76(6)44(77(47,7)34-84)22-25-78(8)45(76)21-20-39-40-29-75(4,5)26-27-81(40,46(88)30-79(39,78)9)74(102)117-71-63(52(93)48(89)37(2)107-71)115-69-56(97)53(94)59(38(3)108-69)111-68-58(99)60(42(87)33-105-68)112-73-65(100)80(103,35-85)36-106-73/h20,34,37-38,40-65,67-73,83,85-100,103H,10-19,21-33,35-36H2,1-9H3,(H,82,101)/t37-,38+,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+,67+,68+,69+,70+,71+,72-,73+,76+,77+,78-,79-,80-,81-/m1/s1

InChIKey

NKVLDFAVEWLOCX-GUSKIFEASA-N

Compound name

[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5R,6aS,6bR,9S,10S,12aR)-10-[(2R,3R,4S,5S,6S)-6-(dodecylcarbamoyl)-5-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Related CIDs

• CID 56841660