Glycoside
GD130241
Name:
Judaicin 7-O-(6''-O-Malonylglucoside)Formula:
C26H26O13Smiles:
COc1cc2c(cc1C1=Cc3ccc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OC1)OCO2Aglycone:
COC(=O)CC(=O)O.COc1cc2c(cc1C1=Cc3ccc(O)cc3OC1)OCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 179.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD48997
Formula: C17H14O5
Smiles:
COc1cc2c(cc1C1=Cc3ccc(O)cc3OC1)OCO2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
