TPCN03839
Name | Ardisiacrenoside I |
Molecular Formula | C62H100O31 |
Molecular Weight | 1341.45 |
CAS Registry Number | 1100908-63-1 |
SMILES | CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C(=O)OCC(O)COC8OC(C(=O)O)C(O)C(O)C8O)CCC7(CO)C(O)CC56C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Myrsinaceae | Ardisia crenata | Roots | 0.000500% | J Asian Nat Prod Res 10, 833-839 (2008). | 10.1080/10286020802102568 |
Properties
HBA | 31 | HBD | 18 |
HeavyAtoms | 93 | AlogP | -5.13 |
TPSA | 499.81 | RotatableBonds | 18 |
FractionCSP3 | 0.94 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |