TPCN03859

Name Compound 2;Leiyemudanoside A;3-0-??-Arabinopyranosyl hederagenin 28-O-??-D-gIu copyranosyl (l??6)-??-D-glucopyranoside;3-O-??-Larabinopyranosyl hederagenin 28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranoside
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 39524-08-8
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Patrinia scabiosaefolia Roots 0.008571% Planta Med 53, 62-65 (1987). 10.1055/s-2006-962622
Berberidaceae Caulophyllum robustum Roots 0.000850% Fitoterapia 81(3): 200-204. 10.1016/j.fitote.2009.08.025
Asteraceae Calendula officinalis Flowers 0.000450% Chem Pharm Bull (Tokyo), 2001, 49, 863-870. 10.1248/cpb.49.863
Caryophyllaceae Dianthus chinensis Aerial parts 0.000150% Phytochemistry 35(3): 751-756. 10.1016/s0031-9422(00)90599-5
Caprifoliaceae Lonicera macranthoides Buds 0.000115% Carbohydr Res 370: 76-81. 10.1016/j.carres.2013.01.019
Properties
HBA 18 HBD 11
HeavyAtoms 65 AlogP -0.25
TPSA 294.98 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8