thonningianin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 2
PubChem 10328286
Molecular Formula

C42H34O21

SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1

synonyms
  • thonningianin A
  • 271579-11-4
  • CHEBI:66227
Click to show/hide the synonyms
Properties
Property Value
MW 874.7 g/mol
HBD 12
HBA 21
Rotatable Bond Count 9
Exact Mass 874.15925809 g/mol
Monoisotopic Mass 874.15925809 g/mol
Heavy Atom Count 63
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1590
xlogp 3.8
Topological Polar Surface Area 357