TPCN04315
Name | Clematiunicinoside H |
Molecular Formula | C92H142O47 |
Molecular Weight | 2000.10 |
CAS Registry Number | 1699748-24-7 |
SMILES | COc1ccc(C=CC(=O)OC2C(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5COC(OC6C(O)C(C)OC(OC7C(OC8CCC9(C)C(CCC%10(C)C9CC=C9C%11CC(C)(C)CCC%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)CCC9%10C)C8(C)C)OCC(O)C7O)C6O)C(O)C5O)C(O)C4O)C3O)OC(CO)C(O)C2O)cc1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis uncinata | Roots | 0.001800% | Chem Pharm Bull (Tokyo) 62(1): 35-44. | 10.1248/cpb.c13-00269 |
Properties
HBA | 47 | HBD | 25 |
HeavyAtoms | 139 | AlogP | -7.60 |
TPSA | 724.49 | RotatableBonds | 27 |
FractionCSP3 | 0.87 | Rings | 15 |
AromaticRings | 1 | AliphaticRings | 14 |