Glycoside
GD125587
Name:
2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxane-3,4,5-triolFormula:
C15H22O8Smiles:
OCC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C=CCC12Aglycone:
OCC1=COC(O)C2C=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.33 | Num_heavy_atoms: | 23 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD50794
Formula: C9H12O3
Smiles:
OCC1=COC(O)C2C=CCC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
