Glycoside
GD147607
Name:
5-(4-hydroxy-2-oxopentyl)-2-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H26O10Smiles:
Cc1cc(=O)c2c(CC(=O)CC(C)O)cc(OC3OC(CO)C(O)C(O)C3O)cc2o1Aglycone:
Cc1cc(=O)c2c(CC(=O)CC(C)O)cc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 166.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD59101
Formula: C15H16O5
Smiles:
Cc1cc(=O)c2c(CC(=O)CC(C)O)cc(O)cc2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
