Glycoside
GD099618
Name:
NoneFormula:
C21H21O5N5SSmiles:
Nc1nc2c(nc(SCc3cccc4ccccc34)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(SCc1cccc3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.5 | Num_heavy_atoms: | 32 |
| TPSA: | 159.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD42305
Formula: C16H12ON5S
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(SCc1cccc3ccccc13)[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.37 | Num_heavy_atoms: | 23 |
| TPSA: | 98.23 | NumAromaticRings: | 3 |
