Ascorbic acid, rutoside drug combination
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Identity
Ascorbic acid, rutoside drug combination
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
PubChem CID: 54692995
2D Structure
Properties
C33H38O22
Molecular Formula
786.60
Molecular Weight
g/mol
786.1855
Exact Mass
Da
373
TPSA
May have limited oral absorption
14
H-Bond Donors
22
H-Bond Acceptors
1260
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.C(C(C1C(=C(C(=O)O1)O)O)O)OIsomeric SMILES
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)OSynonyms(16)
Ascorbic acid, rutoside drug combinationascorbic acid-rutosideRefChem:114474Ascorutin8067-12-7(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-oneRutascorbinRutinoscorbinCerutinRuta C 60orb1987192SCHEMBL30900604AKOS040745583CS-0311350T23757
Data from PubChem (NCBI)
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