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 |