Glycoside
GD143983
Name:
2-{[5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]peroxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H22O10Smiles:
OCC1=CC(O)C2C=COC(OOC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=CC(O)C2C=COC(OO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.33 | Num_heavy_atoms: | 25 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57888
Formula: C9H12O5
Smiles:
OCC1=CC(O)C2C=COC(OO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
