Glycoside
GD126233
Name:
methyl 6-hydroxy-7-(hydroxymethyl)-1-[(2,3,4,5-tetrahydroxy-6-oxohexyl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C17H26O11Smiles:
COC(=O)C1=COC(OCC(O)C(O)C(O)C(O)C=O)C2C1CC(O)C2COAglycone:
COC(=O)C1=COCC2C1CC(O)C2COSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD51067
Formula: C11H16O5
Smiles:
COC(=O)C1=COCC2C1CC(O)C2CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
