TPCN05766

Name Mateglycosides A;Mateglycoside A
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 1158228-10-4
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)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 paraguariensis Leaves 0.000693% Chem Pharm Bull (Tokyo). 2009 Mar;57(3):257-61. 10.1248/cpb.57.257.
Zygophyllaceae Larrea tridentata Aerial parts 0.000290% Phytochemistry . 2010 Dec;71(17-18):2157-67 10.1016/j.phytochem.2010.09.012
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.54
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10