TPCN03734

Name Kudinoside D
Molecular Formula C47H72O17
Molecular Weight 909.08
CAS Registry Number 173792-61-5
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex kudincha Leaves 0.000910% Planta Med 77, 1835-1840 (2011). 10.1055/s-0030-1271164
Amaryllidaceae Allium ascalonicum Subterraneous stems 0.000072% Nat Prod Res: 1-9. 10.1080/14786419.2020.1713122
Properties
HBA 17 HBD 9
HeavyAtoms 64 AlogP 0.86
TPSA 263.75 RotatableBonds 7
FractionCSP3 0.89 Rings 10
AromaticRings 0 AliphaticRings 10