TPCN06336
Name | Clematernoside H |
Molecular Formula | C104H162O55 |
Molecular Weight | 2292.39 |
CAS Registry Number | 220456-90-6 |
SMILES | COc1ccc(C=CC(=O)OC2C(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)OC%10OC(COC%11OC(CO)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C(O)C%10O)CCC89C)C7(C)C)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)OC(CO)C(O)C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis terniflora | Roots | 0.000023% | Chem Pharm Bull (Tokyo) . 1998 Dec;46(12):1891-900 | 10.1248/cpb.46.1891 |
Properties
HBA | 55 | HBD | 29 |
HeavyAtoms | 159 | AlogP | -10.63 |
TPSA | 842.33 | RotatableBonds | 32 |
FractionCSP3 | 0.88 | Rings | 17 |
AromaticRings | 1 | AliphaticRings | 16 |