TPCN06216

Name Camelliosides J
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 2078008-46-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CO)C(O)CC45C)C3(C)C)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia bugiamapensis Leaves 0.000220% Bioorg Med Chem Lett . 2017 Feb 1;27(3):557-561 10.1016/j.bmcl.2016.12.020
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.88
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7