Glycoside
GD025176
Name:
NoneFormula:
C20H23O7N7SSmiles:
CC(=O)N1CCOc2ccc(S(=O)(=O)NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cc21Aglycone:
CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 505.51 | Num_heavy_atoms: | 35 |
| TPSA: | 195.02 | NumAromaticRings: | 3 |
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 |
AD06598
Formula: C11H14O4N2S
Smiles:
CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.31 | Num_heavy_atoms: | 18 |
| TPSA: | 75.71 | NumAromaticRings: | 1 |
