kaempferol-3-O-rutinoside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 8
PubChem 5318767
Molecular Formula

C27H30O15

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

InChI

InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

synonyms
  • 17650-84-9
  • Kaempferol-3-O-rutinoside
  • Nictoflorin
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Properties
Property Value
MW 594.5 g/mol
HBD 9
HBA 15
Rotatable Bond Count 6
Exact Mass 594.15847025 g/mol
Monoisotopic Mass 594.15847025 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 985
xlogp -0.9
Topological Polar Surface Area 245