Glycoside
GD121274
Name:
5-(4-hydroxy-2-oxopentyl)-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4H-chromen-4-oneFormula:
C21H26O10Smiles:
CC(O)CC(=O)Cc1cccc2oc(COC3OC(CO)C(O)C(O)C3O)cc(=O)c12Aglycone:
CC(O)CC(=O)Cc1cccc2oc(CO)cc(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 166.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD48805
Formula: C15H16O5
Smiles:
CC(O)CC(=O)Cc1cccc2oc(CO)cc(=O)c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
