TPCN04640

Name 3-O-??-D-glucopyranosyl gypsogenic acid 28-O-[??-D-glucopyranosyl(1??3)][??-D-6-O-((3S)-hydroxyl-3-methylglutaryl)glucopyranosyl(1??6)]-??-D-glucopyranoside
Molecular Formula C60H94O29
Molecular Weight 1279.38
CAS Registry Number 1360803-03-7
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Dianthus superbus Aerial parts 0.000160% Chem Pharm Bull (Tokyo) 59(4): 518-521. 10.1248/cpb.59.518
Properties
HBA 29 HBD 16
HeavyAtoms 89 AlogP -2.80
TPSA 475.03 RotatableBonds 18
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9