Glycoside
GD030283
Name:
NoneFormula:
C21H21O4N5S2Smiles:
Nc1nc2c(nc(SCc3cccc4ccccc34)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
Nc1nc2c(c(=S)[nH]1)N=C(SCc1cccc3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.56 | Num_heavy_atoms: | 32 |
| TPSA: | 142.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD19601
Formula: C16H12N5S2
Smiles:
Nc1nc2c(c(=S)[nH]1)N=C(SCc1cccc3ccccc13)[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.44 | Num_heavy_atoms: | 23 |
| TPSA: | 81.16 | NumAromaticRings: | 3 |
