Glycoside
GD030527
Name:
NoneFormula:
C14H21O7N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCS(=O)(=O)NC(=O)[C@H](N)CO)[C@H](O)[C@H]1OAglycone:
CCS(=O)(=O)NC(=O)C(N)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.43 | Num_heavy_atoms: | 29 |
| TPSA: | 228.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19749
Formula: C5H12O4N2S
Smiles:
CCS(=O)(=O)NC(=O)C(N)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.23 | Num_heavy_atoms: | 12 |
| TPSA: | 109.49 | NumAromaticRings: | 0 |
