TPCN06071

Name Anopanins A
Molecular Formula C50H82O20
Molecular Weight 1003.19
CAS Registry Number 2144478-25-9
SMILES CC(=O)OC1CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)(O)C(O)CC=C(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Anodendron paniculatum Aerial parts 0.001288% Phytochemistry . 2017 Dec;144:113-118 10.1016/j.phytochem.2017.09.004
Properties
HBA 20 HBD 12
HeavyAtoms 70 AlogP -0.73
TPSA 324.44 RotatableBonds 14
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8