Glycoside
GD031217
Name:
NoneFormula:
C16H26O7N8SSmiles:
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)N(O)C[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)N(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.5 | Num_heavy_atoms: | 32 |
| TPSA: | 232.04 | 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 |
AD20124
Formula: C7H17O4N3S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)N(C)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 239.3 | Num_heavy_atoms: | 15 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
