Glycoside
GD012512
Name:
NoneFormula:
C21H28O4N10SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](Cn2cc(CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)[C@H](O)[C@H]1OAglycone:
Cn1cc(CCCCC2SCC3NC(=O)NC32)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.59 | Num_heavy_atoms: | 36 |
| TPSA: | 191.15 | 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 |
AD09424
Formula: C12H19ON5S
Smiles:
Cn1cc(CCCCC2SCC3NC(=O)NC32)nn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.38 | Num_heavy_atoms: | 19 |
| TPSA: | 71.84 | NumAromaticRings: | 1 |
