Glycoside
GD024846
Name:
NoneFormula:
C18H23O6N7SSmiles:
CNS(=O)(=O)c1ccc(CNC[C@@H]2O[C@H](n3cnc4c(O)nc(N)nc43)[C@H](O)[C@H]2O)cc1Aglycone:
CNCc1ccc(S(=O)(=O)NC)cc1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 465.49 | Num_heavy_atoms: | 32 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD16540
Formula: C9H14O2N2S
Smiles:
CNCc1ccc(S(=O)(=O)NC)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 214.29 | Num_heavy_atoms: | 14 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
