beta-penta-O-galloyl-glucose

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 109
Total Number of Articles : 45
PubChem 65238
Molecular Formula

C41H32O26

SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

InChI

InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1

synonyms
  • Pentagalloylglucose
  • 14937-32-7
  • Pentagalloyl glucose
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Properties
Property Value
MW 940.7 g/mol
HBD 15
HBA 26
Rotatable Bond Count 16
Exact Mass 940.11818112 g/mol
Monoisotopic Mass 940.11818112 g/mol
Heavy Atom Count 67
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1680
xlogp 3.6
Topological Polar Surface Area 444