TPCN04232

Name Macranthoidin B
Molecular Formula C65H106O32
Molecular Weight 1399.53
CAS Registry Number 136849-88-2
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(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Lonicera macranthoides Buds 0.004935% Carbohydr Res 370: 76-81. 10.1016/j.carres.2013.01.019
Properties
HBA 32 HBD 19
HeavyAtoms 97 AlogP -5.75
TPSA 512.20 RotatableBonds 17
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11