TPCN06119

Name Mandshunosides B
Molecular Formula C68H102O28
Molecular Weight 1367.54
CAS Registry Number 1411991-31-5
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)C)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 0.000740% J Asian Nat Prod Res. 2011 Dec;13(12):1104-9 10.1080/10286020.2011.618453
Properties
HBA 28 HBD 14
HeavyAtoms 96 AlogP 0.64
TPSA 428.12 RotatableBonds 17
FractionCSP3 0.82 Rings 11
AromaticRings 1 AliphaticRings 10