TPCN06119
Name | Mandshunosides B |
Molecular Formula | C68H102O28 |
Molecular Weight | 1367.54 |
CAS Registry Number | 1411991-31-5 |
SMILES | COc1ccc(C=CC(=O)OCC2OC(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)O)CCC89C)C7(C)C)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)cc1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis terniflora | Roots | 0.000740% | J Asian Nat Prod Res. 2011 Dec;13(12):1104-9 | 10.1080/10286020.2011.618453 |
Properties
HBA | 28 | HBD | 14 |
HeavyAtoms | 96 | AlogP | 0.64 |
TPSA | 428.12 | RotatableBonds | 17 |
FractionCSP3 | 0.82 | Rings | 11 |
AromaticRings | 1 | AliphaticRings | 10 |