Glycoside
GD056990
Name:
NoneFormula:
C13H15O7N3Smiles:
COc1ccc(-c2noc([C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)n2)nc1Aglycone:
COc1ccc(-c2ncon2)nc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.28 | Num_heavy_atoms: | 23 |
| TPSA: | 151.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD28630
Formula: C8H7O2N3
Smiles:
COc1ccc(-c2ncon2)nc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.16 | Num_heavy_atoms: | 13 |
| TPSA: | 61.04 | NumAromaticRings: | 2 |
