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