B-d-glucopyranose, 6-o-b-d-glucopyranosyl-1-o-[(3b,5x,9x,18x)-3-[(2-o-b-l-glucopyranosyl-b-d-glucopyranosyl)oxy]-28-oxoolean-12-en-28-yl]-

Structural Information

Molecular Formula

C₅₄H₈₈O₂₃

SMILES

C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)C)OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)OC9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O

InChI

InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-42(68)38(64)35(61)28(74-46)22-70-44-40(66)36(62)32(58)25(19-55)71-44)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)75-47-43(39(65)34(60)27(21-57)73-47)76-45-41(67)37(63)33(59)26(20-56)72-45/h8,24-47,55-68H,9-22H2,1-7H3/t24?,25-,26+,27-,28-,29?,30?,31+,32-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44?,45?,46+,47?,51+,52-,53-,54+/m1/s1

InChIKey

YPIHCZNMLNJVSW-HVYQGHCJSA-N

Compound name

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aS,6bR,10S,12aR)-10-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Related CIDs

• CID 15958509