Glycoside
GD144562
Name:
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C19H22O10Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(OC3OC(CO)C(O)C(O)C3O)c2o1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(O)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 166.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD55585
Formula: C13H12O5
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(O)c2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
