TPCN05803

Name Dammar-24-en-21-al, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-xylopyranosyl-(1??3)]-??-D-glucopyranosyl)oxy]-20,23-dihydroxy-, cyclic 21,23-(propyl acetal), (3??,20??,21R,23S)- (ACI)
Molecular Formula C51H86O17
Molecular Weight 971.23
CAS Registry Number 1345202-68-7
SMILES CCCCOC1OC(C=C(C)C)CC1(O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Gynostemma pentaphyllum Aerial parts 0.000313% J Asian Nat Prod Res. 2011 Feb;13(2):168-77. 10.1080/10286020.2010.547029.
Properties
HBA 17 HBD 9
HeavyAtoms 68 AlogP 2.80
TPSA 255.91 RotatableBonds 13
FractionCSP3 0.96 Rings 8
AromaticRings 0 AliphaticRings 8