Glycoside
GD047661
Name:
NoneFormula:
C12H19O7N3Smiles:
COc1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n(C)n1Aglycone:
COc1cc(C(N)=O)n(C)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.3 | Num_heavy_atoms: | 22 |
| TPSA: | 146.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD25595
Formula: C6H9O2N3
Smiles:
COc1cc(C(N)=O)n(C)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 70.14 | NumAromaticRings: | 1 |
