Glycoside
GD157123
Name:
methyl 3-acetyl-4-(2-hydroxyethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C17H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C(C)=O)C1CCOAglycone:
COC(=O)C1=COC(O)C(C(C)=O)C1CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD62150
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C(C(C)=O)C1CCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
