OLEAN-12-EN-28-OIC ACID, 3-((O-.BETA.-D-GALACTOPYRANOSYL-(1->2)-O-(.BETA.-D-XYLOPYRANOSYL-(1->3))-N-DODECYL-.BETA.-D-GLUCOPYRANURONAMIDOSYL)OXY)-16-HYDROXY-23-OXO-, O-D-APIO-.BETA.-D-FURANOSYL-(1->3)-O-.BETA.-D-XYLOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-6-DEOXY-.BETA.-D-GALACTOPYRANOSYL ESTER, (3.BETA.,4.ALPHA.,16.ALPHA.)-

化合物标识与属性

CAS

622829-90-7

PubChem CID

154824278

SMILES

CCCCCCCCCCCCNC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)C=O)CC[C@@]4([C@@H]3CC=C5[C@]4(C[C@H]([C@@]6([C@H]5CC(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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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

Canonical SMILES

CCCCCCCCCCCCNC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3[C@]2(C)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O