Glycoside
GD101357
Name:
NoneFormula:
C22H22O5N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3cccc(-c4ccsc4)c3)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)c1cccc(-c3ccsc3)c1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.52 | Num_heavy_atoms: | 34 |
| TPSA: | 161.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD42900
Formula: C16H11ON6S
Smiles:
N=c1nc2c(c(N)n1C(=O)c1cccc(-c3ccsc3)c1)N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 335.37 | Num_heavy_atoms: | 24 |
| TPSA: | 111.22 | NumAromaticRings: | 3 |
