Glycoside
GD088639
Name:
NoneFormula:
C18H22O7N4SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnn2c1C(=O)N(Cc1cccs1)CC2Aglycone:
NC(=O)c1cnn2c1C(=O)N(Cc1cccs1)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.46 | Num_heavy_atoms: | 30 |
| TPSA: | 157.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD38790
Formula: C12H12O2N4S
Smiles:
NC(=O)c1cnn2c1C(=O)N(Cc1cccs1)CC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.32 | Num_heavy_atoms: | 19 |
| TPSA: | 81.22 | NumAromaticRings: | 2 |
