vaticanol C

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 4
PubChem 49866362
Molecular Formula

C56H42O12

SMILES

C1=CC(=CC=C1[C@@H]2[C@H]3[C@@H](C4=C([C@@H]2C5=C3C6=C(C=C5O)O[C@H]([C@@H]6C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=C(C=C4O)O[C@H]([C@@H]9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O

InChI

InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46-,51-,52+,55+,56+/m1/s1

synonyms
  • CHEMBL1224887
  • vaticanol C
  • BDBM50362646
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Properties
Property Value
MW 906.9 g/mol
HBD 10
HBA 12
Rotatable Bond Count 6
Exact Mass 906.26762677 g/mol
Monoisotopic Mass 906.26762677 g/mol
Heavy Atom Count 68
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1680
xlogp 9.1
Topological Polar Surface Area 221