Glycoside
GD120247
Name:
methyl 7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C17H26O10Smiles:
COC(=O)C1COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
COC(=O)C1COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48281
Formula: C11H16O5
Smiles:
COC(=O)C1COC(O)C2C(CO)=CCC12| 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 |
