Glycoside
GD140719
Name:
methyl 3-(2-hydroxyethylidene)-4-(2-oxopropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C18H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(C)=OAglycone:
COC(=O)C1=COC(O)C(=CCO)C1CC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD56736
Formula: C12H16O6
Smiles:
COC(=O)C1=COC(O)C(=CCO)C1CC(C)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
