Glycoside
GD028864
Name:
NoneFormula:
C21H24O7N8SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CNS(=O)(=O)NC(=O)CCc3c[nH]c4ccccc34)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.54 | Num_heavy_atoms: | 37 |
| TPSA: | 230.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD18819
Formula: C12H15O3N3S
Smiles:
CNS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.34 | Num_heavy_atoms: | 19 |
| TPSA: | 91.06 | NumAromaticRings: | 2 |
