TPCN04328

Name Clematichinenoside AR2
Molecular Formula C82H134O44
Molecular Weight 1823.93
CAS Registry Number 1071870-42-2
SMILES CC1OC(OCC2OC(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)C(O)CC%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)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis chinensis Roots 0.001600% J Asian Nat Prod Res 11(5): 389-396. 10.1080/10286020902867268
Properties
HBA 44 HBD 25
HeavyAtoms 126 AlogP -9.58
TPSA 688.96 RotatableBonds 22
FractionCSP3 0.96 Rings 14
AromaticRings 0 AliphaticRings 14