TPCN06106

Name Mandshunosides A
Molecular Formula C68H102O29
Molecular Weight 1383.54
CAS Registry Number 1411991-30-4
SMILES COc1ccc(C=CC(=O)OCC2OC(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)O)CCC89C)C7(C)CO)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)cc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis terniflora Roots 0.000820% J Asian Nat Prod Res. 2011 Dec;13(12):1104-9 10.1080/10286020.2011.618453
Properties
HBA 29 HBD 15
HeavyAtoms 97 AlogP -0.39
TPSA 448.35 RotatableBonds 18
FractionCSP3 0.82 Rings 11
AromaticRings 1 AliphaticRings 10