Glycoside
GD010699
Name:
NoneFormula:
C26H36O7N12SSmiles:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NC1CCN(CCS(=O)(=O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NC1CCN(CCS(C)(=O)=O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.72 | Num_heavy_atoms: | 46 |
| TPSA: | 281.95 | 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 |
AD08228
Formula: C17H27O4N7S
Smiles:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NC1CCN(CCS(C)(=O)=O)CC1| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.52 | Num_heavy_atoms: | 29 |
| TPSA: | 162.64 | NumAromaticRings: | 1 |
