TPCN04293

Name Clematiganoside A
Molecular Formula C64H104O30
Molecular Weight 1353.51
CAS Registry Number 1000293-05-9
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)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 0.002100% Chem Pharm Bull (Tokyo) 62(1): 35-44. 10.1248/cpb.c13-00269
Properties
HBA 30 HBD 17
HeavyAtoms 94 AlogP -4.08
TPSA 471.74 RotatableBonds 15
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11