TPCN05779
Name | Dammar-24-en-21-al, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-xylopyranosyl-(1??3)]-??-L-arabinopyranosyl)oxy]-20,23-dihydroxy-, cyclic 21,23-(propyl acetal), (3??,20??,21S,23S)- (ACI) |
Molecular Formula | C50H82O17 |
Molecular Weight | 955.19 |
CAS Registry Number | 1345202-71-2 |
SMILES | CCCCOC1OC(C=C(C)C)CC1(O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OCC(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 | 0.000500% | J Asian Nat Prod Res. 2011 Feb;13(2):168-77. | 10.1080/10286020.2010.547029. |
Properties
HBA | 17 | HBD | 8 |
HeavyAtoms | 67 | AlogP | 2.62 |
TPSA | 252.75 | RotatableBonds | 13 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |