Glycoside
GD030440
Name:
4′-O-Β-D-Galactopyranosyl DjalonensoneFormula:
C21H22O10Smiles:
COc1cc(C)c2c(c1)oc(=O)c1c(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc12Aglycone:
COc1cc(C)c2c(c1)oc(=O)c1c(O)cc(O)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD19699
Formula: C15H12O5
Smiles:
COc1cc(C)c2c(c1)oc(=O)c1c(O)cc(O)cc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
