Glycoside
GD114178
Name:
[6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C29H36O16Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(C(C)=O)cc3OC)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(C(C)=O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 240.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD01258
Formula: C9H10O3
Smiles:
COc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
