Glycoside
GD102428
Name:
NoneFormula:
C18H16O5N6Cl2SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3cc(Cl)c(Cl)s3)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)c1cc(Cl)c(Cl)s1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 475.31 | Num_heavy_atoms: | 30 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD43354
Formula: C12H5ON6Cl2S
Smiles:
N=c1nc2c(c(N)n1C(=O)c1cc(Cl)c(Cl)s1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.16 | Num_heavy_atoms: | 20 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
