MW: 578.53
CAS: 64820-99-1
MDL:
TNP:
LogP: 3.56
LogS: -4.53
Acceptors: 14
Donors: 9
Rotation Bonds: 4
Chiral Centers: 10
N+O: 14
LIPINSKY: 1
Info: C-glycoside Flavonoid, isolated from many plants
IUPAC: 8-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4,5,6-t etrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydro pyran-2-yl)]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Smiles: c12[c@@](C3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O[C@H]3[C@@H]([C@@H]([C@@H](O)[C@@H](O3)C)O)O)c(cc(c1c(cc(o2)c1ccc(O)cc1)=O)O)O
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