TPCN04388

Name Clematiunicinoside B
Molecular Formula C70H114O35
Molecular Weight 1515.65
CAS Registry Number 1469980-20-8
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis uncinata Roots 0.000950% Chem Pharm Bull (Tokyo) 62(1): 35-44. 10.1248/cpb.c13-00269
Properties
HBA 35 HBD 20
HeavyAtoms 105 AlogP -6.26
TPSA 550.89 RotatableBonds 18
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12