TPCN04710

Name Dianversicoside F
Molecular Formula C54H86O26
Molecular Weight 1151.26
CAS Registry Number 1130280-16-8
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Dianthus chinensis Whole plants 0.000090% J Nat Prod 72(4): 640-644. 10.1021/np800589a
Properties
HBA 26 HBD 16
HeavyAtoms 80 AlogP -4.57
TPSA 431.66 RotatableBonds 12
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9