[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[3-[(3R)-4-[5-[5-[4,5-dihydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-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

化合物标识与属性

CAS

916649-91-7

PubChem CID

154828308

SMILES

CC1C(C([C@H](C(O1)OC2C(C(COC2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)OC1C(C(C(C(O1)C)O)O)O)O)O)O)O)O)C)C)C)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)COC1C(C(C(C(O1)C)O)O)O)O)O)OC(=O)/C=C/C1=CC(=C(C=C1)OC)O)O)O)O)O)O

Canonical SMILES

COc1ccc(/C=C/C(=O)OC2C(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(O[C@H]7CC[C@]8(C)[C@H]9CC=C%10[C@@H]%11CC(C)(C)CC[C@]%11(C(=O)OC%11OC(COC%12OC(CO)C(OC%13OC(C)C(O)C(O)C%13O)C(O)C%12O)C(O)C(O)C%11O)CC[C@@]%10(C)[C@]9(C)CC[C@H]8C7(C)C)OCC(O)C6O)[C@@H]5O)C(O)C4O)C(O)C3O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)cc1O