Glycoside
GD138732
Name:
5-acetyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C16H22O10Smiles:
CC(=O)C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCCC21Aglycone:
CC(=O)C1C(O)OC=C2C(=O)OCCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55971
Formula: C10H12O5
Smiles:
CC(=O)C1C(O)OC=C2C(=O)OCCC21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
