TPCN06237

Name Clematernoside A
Molecular Formula C86H132O42
Molecular Weight 1837.96
CAS Registry Number 220456-69-9
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)C2O)cc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis terniflora Roots 0.000144% Chem Pharm Bull (Tokyo) . 1998 Dec;46(12):1891-900 10.1248/cpb.46.1891
Properties
HBA 42 HBD 22
HeavyAtoms 128 AlogP -5.43
TPSA 645.34 RotatableBonds 24
FractionCSP3 0.86 Rings 14
AromaticRings 1 AliphaticRings 13