Glycoside
GD142006
Name:
2-{[5,6-dihydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H22O10Smiles:
OCC1=C(O)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=C(O)C(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 25 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57168
Formula: C9H12O5
Smiles:
OCC1=C(O)C(O)C2C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
