TPCN03566

Name Dammar-24-ene-21,28-dioic acid, 3-[(3-O-??-D-glucopyranosyl-??-L-arabinopyranosyl)oxy]-21-hydroxy-, 21-(??-D-glucopyranosyl) ester, (3??,4??)- (9CI, ACI)
Molecular Formula C47H76O20
Molecular Weight 961.11
CAS Registry Number 914649-14-2
SMILES CC(C)=CCCC(O)(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(C)(C(=O)O)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Gynostemma cardiospermum Aerial parts 0.002500% J Nat Prod, 2006, 69, 1394-1398. 10.1021/np0600898
Properties
HBA 20 HBD 12
HeavyAtoms 67 AlogP -0.79
TPSA 332.28 RotatableBonds 13
FractionCSP3 0.91 Rings 7
AromaticRings 0 AliphaticRings 7