Glycoside
GD118253
Name:
7-hydroxy-2-methyl-5-(2-oxopropyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C19H22O9Smiles:
CC(=O)Cc1c(C2OC(CO)C(O)C(O)C2O)c(O)cc2oc(C)cc(=O)c12Aglycone:
CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 157.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD45300
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
