beta-D-Glucopyranose, O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 1-((1R,2R,4aR,4bS,6R,6aR,10aS,12aR)-2-(1-carboxyethenyl)-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydro-6-hydroxy-1-(3-hydroxypropyl)-1,4a,4b,9,9-pentamethyl-6a(2H)-chrysenecarboxylate)

化合物标识与属性

CAS

252736-97-3

PubChem CID

132472104

SMILES

C[C@@]12CC[C@H]([C@]([C@H]1C=CC3[C@]2(C[C@H]([C@@]4([C@H]3CC(CC4)(C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)(C)CCCO)C(=C)C(=O)O

Canonical SMILES

C=C(C(=O)O)[C@@H]1CC[C@]2(C)[C@H](C=CC3[C@@H]4CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]32C)[C@@]1(C)CCCO