TPCN04552

Name Loniceroside J
Molecular Formula C59H96O25
Molecular Weight 1205.39
CAS Registry Number 1776929-10-2
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Lonicera japonica Aerial parts 0.000282% Chem Pharm Bull (Tokyo) 62(1): 92-96. 10.1248/cpb.c13-00592
Properties
HBA 25 HBD 14
HeavyAtoms 84 AlogP -1.52
TPSA 392.59 RotatableBonds 12
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10