Glycoside
GD030952
Name:
NoneFormula:
C16H24O8N8SSmiles:
C[C@H](N)C(=O)N[C@H](C)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(C)NC(=O)C(C)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 488.48 | Num_heavy_atoms: | 33 |
| TPSA: | 246.9 | 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 |
AD19998
Formula: C7H15O5N3S
Smiles:
COS(=O)(=O)NC(=O)C(C)NC(=O)C(C)N| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.28 | Num_heavy_atoms: | 16 |
| TPSA: | 127.59 | NumAromaticRings: | 0 |
