Glycoside
GD140927
Name:
methyl 5,7-bis(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(CO)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56811
Formula: C12H16O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(CO)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
