TPCN04329

Name Clematernoside E
Molecular Formula C98H152O51
Molecular Weight 2146.24
CAS Registry Number 220456-85-9
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)C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis uncinata Roots 0.001600% Chem Pharm Bull (Tokyo) 62(1): 35-44. 10.1248/cpb.c13-00269
Ranunculaceae Clematis terniflora Roots 0.000043% Chem Pharm Bull (Tokyo) . 1998 Dec;46(12):1891-900 10.1248/cpb.46.1891
Properties
HBA 51 HBD 27
HeavyAtoms 149 AlogP -8.75
TPSA 783.41 RotatableBonds 29
FractionCSP3 0.88 Rings 16
AromaticRings 1 AliphaticRings 15