Glycoside
GD018687
Name:
NoneFormula:
C26H36O8N8S2Smiles:
CC(C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@H](O)[C@H]3O)c2n1Aglycone:
CC(C)(C)C#Cc1nc(N)c2c(n1)[N]C=N2.COS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.76 | Num_heavy_atoms: | 44 |
| TPSA: | 232.91 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD13139
Formula: C11H12N5
Smiles:
CC(C)(C)C#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
