TPCN05966

Name Transsylvanoside G
Molecular Formula C64H104O31
Molecular Weight 1369.51
CAS Registry Number 174286-10-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OCC(OC7OC(CO)C(O)C(O)C7O)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 Cephalaria transsylvanica Flowers 0.005533% J Nat Prod . 1996 Apr;59(4):415-8 10.1021/np960193x
Properties
HBA 31 HBD 18
HeavyAtoms 95 AlogP -5.11
TPSA 491.97 RotatableBonds 16
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11