Glycoside
GD153365
Name:
(6-methyl-4-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,â¹]nonan-9-yl)methyl benzoateFormula:
C23H28O10Smiles:
CC12CC(=O)C3CC1(OC1OC(CO)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)CO2Aglycone:
CC12CC(=O)C3CC1(O)C3(COC(=O)c1ccccc1)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 33 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD60999
Formula: C17H18O5
Smiles:
CC12CC(=O)C3CC1(O)C3(COC(=O)c1ccccc1)CO2| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
