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Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside]

PubChem CID: 10698716

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Compound Synonyms CHEMBL551120, SCHEMBL1568904, Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside]
Topological Polar Surface Area 245.0
Hydrogen Bond Donor Count 9.0
Heavy Atom Count 42.0
Isotope Atom Count 0.0
Molecular Complexity 1010.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 10.0
Iupac Name 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Prediction Hob 0.0
Xlogp -0.2
Molecular Formula C27H30O15
Prediction Swissadme 0.0
Inchi Key SEEGVLYKLLCFTK-AQNZCLFOSA-N
Fcsp3 0.4444444444444444
Logs -4.935
Rotatable Bond Count 5.0
Logd 0.192
Compound Name Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside]
Prediction Hob Swissadme 0.0
Exact Mass 594.158
Formal Charge 0.0
Monoisotopic Mass 594.158
Hydrogen Bond Acceptor Count 15.0
Molecular Weight 594.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Esol -2.9676411619047647
Inchi InChI=1S/C27H30O15/c1-8-17(32)20(35)22(37)26(38-8)42-25-21(36)18(33)9(2)39-27(25)41-24-19(34)16-14(31)6-11(28)7-15(16)40-23(24)10-3-4-12(29)13(30)5-10/h3-9,17-18,20-22,25-33,35-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,25+,26-,27-/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)C)O)O)O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0