proanthocyanidin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 217
Total Number of Articles : 212
PubChem 108065
Molecular Formula

C31H28O12

SMILES

COC1=C(C=C(C=C1O)C2[C@@H](CC3=C(O2)C(=C(C=C3O)O)[C@@H]4[C@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O

InChI

InChI=1S/C31H28O12/c1-41-31-20(37)6-13(7-21(31)38)28-22(39)10-16-17(34)11-19(36)25(30(16)43-28)26-24-18(35)8-15(33)9-23(24)42-29(27(26)40)12-2-4-14(32)5-3-12/h2-9,11,22,26-29,32-40H,10H2,1H3/t22-,26-,27-,28?,29-/m1/s1

synonyms
  • Proanthocyanidin
  • 18206-61-6
  • Proanthocyanidin A
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Properties
Property Value
MW 592.5 g/mol
HBD 9
HBA 12
Rotatable Bond Count 4
Exact Mass 592.15807632 g/mol
Monoisotopic Mass 592.15807632 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 920
xlogp 2.7
Topological Polar Surface Area 210