Glycoside
GD131355
Name:
4-hydroxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-oneFormula:
C14H22O8Smiles:
O=C1C=CC(O)(CCOC2OC(CO)C(O)C(O)C2O)CC1Aglycone:
O=C1C=CC(O)(CCO)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 318.32 | Num_heavy_atoms: | 22 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53220
Formula: C8H12O3
Smiles:
O=C1C=CC(O)(CCO)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.18 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
