TPCN04752

Name 28-O-??-D-xylopyranosyl(1??3)-??-D-xylopyranosyl(1??4)-??-Lrhamnopyranosyl(1??2)-[??-L-rhamnopyranosyl(1??3)]-??-D-fucopyranosyl gypsogenin 3-O-??-Dglucopyranosyl (1??2)-??-D-glucopyranosiduronic acid
Molecular Formula C70H110O35
Molecular Weight 1511.62
CAS Registry Number 1704595-00-5
SMILES CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Momordica charantia Seeds 0.000053% Molecules 19(2): 2238-2246. 10.3390/molecules19022238
Properties
HBA 35 HBD 18
HeavyAtoms 105 AlogP -4.93
TPSA 544.57 RotatableBonds 17
FractionCSP3 0.93 Rings 12
AromaticRings 0 AliphaticRings 12