Glycoside
GD039291
Name:
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamateFormula:
C19H22O7N7SBrSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COS(=O)(=O)NC(=O)C[C@H](N)c2cccc(Br)c2)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CC(N)c1cccc(Br)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.4 | Num_heavy_atoms: | 35 |
| TPSA: | 217.8 | 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 |
AD24335
Formula: C10H13O4N2SBr
Smiles:
COS(=O)(=O)NC(=O)CC(N)c1cccc(Br)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.19 | Num_heavy_atoms: | 18 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
