saponarin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 23
Total Number of Articles : 4
PubChem 441381
Molecular Formula

C27H30O15

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

InChI

InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

synonyms
  • Saponarin
  • 20310-89-8
  • Saponaretin-7-O-glucoside
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Properties
Property Value
MW 594.5 g/mol
HBD 10
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 971
xlogp -1.6
Topological Polar Surface Area 256