Troxerutin
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-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
Troxerutin
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-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: 5486699
2D Structure
Properties
C33H42O19
Molecular Formula
742.70
Molecular Weight
g/mol
742.2320
Exact Mass
Da
-2.4
XLogP
Drug-like (Lipinski: < 5)
293
TPSA
May have limited oral absorption
10
H-Bond Donors
19
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)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)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)OSynonyms(20)
Troxerutin7085-55-4TroxerutineVitamin P4Venoruton P4Troxerutina3',4',7-Tris(hydroxyethyl)rutinTroxerutinumDTXSID4045929Z 60007Y4N11PXO8Z-6000NSC-758937DTXCID20259292-(3,4-Bis(2-hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxy ethoxy)-4H-1-benzopyran-4-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Troxerutin
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