Glycoside
GD048022
Name:
NoneFormula:
C12H19O6N3Smiles:
CCn1nccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1=OAglycone:
CCn1nccc(N)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.3 | Num_heavy_atoms: | 21 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD25780
Formula: C6H9ON3
Smiles:
CCn1nccc(N)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
