Glycoside
GD047328
Name:
NoneFormula:
C12H21O5N4Smiles:
Cn1ccnc1CNC(=O)[C@H]1O[C@@H](C[NH3+])[C@H](O)[C@@H](O)[C@H]1OAglycone:
Cn1ccnc1CNC=OSugarmoiety:
[NH3+]CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.32 | Num_heavy_atoms: | 21 |
| TPSA: | 144.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD25462
Formula: C6H9ON3
Smiles:
Cn1ccnc1CNC=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 46.92 | NumAromaticRings: | 1 |
