Glycoside
GD012543
Name:
NoneFormula:
C16H23O7N7SSmiles:
C=C(C)CC(N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C=C(C)CC(N)C(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.47 | Num_heavy_atoms: | 31 |
| TPSA: | 217.8 | 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 |
AD09447
Formula: C7H14O4N2S
Smiles:
C=C(C)CC(N)C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 222.27 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
