Glycoside
GD025824
Name:
NoneFormula:
C18H27O7N7SSmiles:
CCOC(=O)C1CCCN(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)C1Aglycone:
CCOC(=O)C1CCCN(S(=O)(=O)NC)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 485.52 | Num_heavy_atoms: | 33 |
| TPSA: | 195.02 | 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 |
AD17087
Formula: C9H18O4N2S
Smiles:
CCOC(=O)C1CCCN(S(=O)(=O)NC)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.32 | Num_heavy_atoms: | 16 |
| TPSA: | 75.71 | NumAromaticRings: | 0 |
