dioscin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 418
Total Number of Articles : 169
PubChem 119245
Molecular Formula

C45H72O16

SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

synonyms
  • Dioscin
  • 19057-60-4
  • Collettiside III
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Properties
Property Value
MW 869.0 g/mol
HBD 8
HBA 16
Rotatable Bond Count 7
Exact Mass 868.48203620 g/mol
Monoisotopic Mass 868.48203620 g/mol
Heavy Atom Count 61
Isotope Atom Count 0
Atom Stereo Count 26
Covalent Unit Count 1
Complexity 1600
xlogp 1.3
Topological Polar Surface Area 236