pectolinarin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 6
PubChem 168849
Molecular Formula

C29H34O15

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O

InChI

InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1

synonyms
  • Pectolinarin
  • 28978-02-1
  • Pectolinaroside
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Properties
Property Value
MW 622.6 g/mol
HBD 7
HBA 15
Rotatable Bond Count 8
Exact Mass 622.18977037 g/mol
Monoisotopic Mass 622.18977037 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 1000
xlogp -0.5
Topological Polar Surface Area 223