TPCN06207

Name Camelliosides I
Molecular Formula C43H70O13
Molecular Weight 795.02
CAS Registry Number 2078008-45-2
SMILES COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia bugiamapensis Leaves 0.000250% Bioorg Med Chem Lett . 2017 Feb 1;27(3):557-561 10.1016/j.bmcl.2016.12.020
Properties
HBA 13 HBD 7
HeavyAtoms 56 AlogP 2.97
TPSA 204.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7