Kutkin
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxy-4-[(E)-3-phenylprop-2-enoyl]oxybenzoate;dihydrate
Molecular Identity
Kutkin
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxy-4-[(E)-3-phenylprop-2-enoyl]oxybenzoate;dihydrate
PubChem CID: 131750182
2D Structure
Properties
C23H28O12
Molecular Formula
496.50
Molecular Weight
g/mol
496.1581
Exact Mass
Da
154
TPSA
May have limited oral absorption
6
H-Bond Donors
12
H-Bond Acceptors
676
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)OC(=O)C=CC3=CC=CC=C3.O.OIsomeric SMILES
SMILES: COC1=C(C=CC(=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC(=O)/C=C/C3=CC=CC=C3.O.OSynonyms(7)
Kutkinpicroliv12708-05-3RefChem:151561[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxy-4-[(E)-3-phenylprop-2-enoyl]oxybenzoate;dihydrateDTXSID801364970SCHEMBL29362922
Data from PubChem (NCBI)
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