TPCN06235

Name Gongganoside B
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 161161-64-4
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Catunaregam tomentosa Roots 0.000150% Nat Prod Res . 2018 Jul;32(13):1499-1505 10.1080/14786419.2017.1385009
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.26
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7