Glycoside
GD137205
Name:
5-[(1,2,3,4,5,6-hexahydroxyhexyl)oxy]-6-hydroxy-3-methoxy-9-methyl-2H,3H,4H,5H,7H-oxepino[2,3-g]isochromene-2,7-dioneFormula:
C21H26O13Smiles:
COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(cc3cc(C)oc(=O)c3c2O)OC1=OAglycone:
COC1CCc2c(cc3cc(C)oc(=O)c3c2O)OC1=OSugarmoiety:
OCC(O)C(O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 216.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD55443
Formula: C15H14O6
Smiles:
COC1CCc2c(cc3cc(C)oc(=O)c3c2O)OC1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 85.97 | NumAromaticRings: | 2 |
