amarogentin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 56
Total Number of Articles : 20
PubChem 115149
Molecular Formula

C29H30O13

SMILES

C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O

InChI

InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1

synonyms
  • Amarogentin
  • 21018-84-8
  • 5L82GT5I0W
Click to show/hide the synonyms
Properties
Property Value
MW 586.5 g/mol
HBD 6
HBA 13
Rotatable Bond Count 8
Exact Mass 586.16864101 g/mol
Monoisotopic Mass 586.16864101 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1020
xlogp 2.4
Topological Polar Surface Area 202