TPCN04780

Name Dianchinenoside A
Molecular Formula C41H64O15
Molecular Weight 796.95
CAS Registry Number 151466-55-6
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Dianthus chinensis Whole plants 0.000025% J Nat Prod 72(4): 640-644. 10.1021/np800589a
Properties
HBA 15 HBD 9
HeavyAtoms 56 AlogP 0.99
TPSA 253.13 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7