Glycoside
GD116521
Name:
N-(2'-Beta-Glucopyranosyl-5'-Hydroxysalicyl)-5-Hydroxyanthranilic Acid M+Formula:
C21H23O11NSmiles:
COC(=O)c1cc(O)ccc1N=C(O)c1cc(O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1cc(O)ccc1N=C(O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.41 | Num_heavy_atoms: | 33 |
| TPSA: | 198.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD46286
Formula: C15H13O6N
Smiles:
COC(=O)c1cc(O)ccc1N=C(O)c1cc(O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.27 | Num_heavy_atoms: | 22 |
| TPSA: | 119.58 | NumAromaticRings: | 2 |
