Glycoside
GD017080
Name:
NoneFormula:
C21H29O8N7S2Smiles:
Nc1nccc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21.Nc1nccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 571.64 | Num_heavy_atoms: | 38 |
| TPSA: | 220.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD01566
Formula: C6H5N4
Smiles:
Nc1nccc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.37 | NumAromaticRings: | 1 |
AD08464
Formula: C11H19O5N3S2
Smiles:
COS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.42 | Num_heavy_atoms: | 21 |
| TPSA: | 113.6 | NumAromaticRings: | 0 |
