2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | SBID = 2625 | Compound | Pubchem logo

Struc Structure

Download Image

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 207.0
Ertl TPSA/Å2: 210.51
Hydrophilicity (PubChem XLogP): 0.4
Hydrophilicity (Cheng XLogP3): -0.22
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 12.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 5.0
3D Volume/Å3: 322.8
Sum Formula: C21H20O12
M / g/mol: 464.4
Complexity: 758.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • Preferred Abbreviation: Hyperoside
  • IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • CAS:
  • CID: 5281643
  • InChiKey: OVSQVDMCBVZWGM-DTGCRPNFSA-N
  • InChi: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
  • CanoSmiles: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
  • IsoSmiles: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O