Glycoside
GD018235
Name:
NoneFormula:
C16H21O7N9SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)Cc2cnc[nH]2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)Cc1cnc[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 483.47 | Num_heavy_atoms: | 33 |
| TPSA: | 246.48 | 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 |
AD12900
Formula: C7H12O4N4S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1cnc[nH]1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 248.26 | Num_heavy_atoms: | 16 |
| TPSA: | 127.17 | NumAromaticRings: | 1 |
