TPCN04807

Name Dianoside H
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 96333-10-7
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Dianthus chinensis Whole plants 0.000005% J Nat Prod 72(4): 640-644. 10.1021/np800589a
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 3.56
TPSA 173.98 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6