TPCN03880

Name 3-O-??-L-rhamnopyranosyl-(1??2)-??-L-arabinopyranosyl hederagenin 28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester;Dipsacoside B
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 33289-85-9
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Lonicera macranthoides Buds 0.000610% Carbohydr Res 370: 76-81. 10.1016/j.carres.2013.01.019
Ranunculaceae Clematis tibetana Aerial parts 0.000410% Chem Pharm Bull (Tokyo) . 2001 May;49(5):635-8 10.1248/cpb.49.635
Sapotaceae Madhuca longifolia Seeds 0.000409% J Nat Prod, 2000, 63, 1679-1681. 10.1021/np000351r
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -1.40
TPSA 353.90 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9