TPCN05927

Name Transsylvanoside A
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 155569-77-0
SMILES CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)C(O)C2O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Cephalaria transsylvanica Flowers 0.018400% Phytochemistry . 1994 Mar;35(4):1075-6 10.1016/s0031-9422(00)90676-9
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -0.83
TPSA 353.90 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9