Glycoside
GD089694
Name:
NoneFormula:
C19H22O5N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)Cc3ccc(S)cc3)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)Cc1ccc(S)cc1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD39091
Formula: C13H11ON6S
Smiles:
N=c1nc2c(c(N)n1C(=O)Cc1ccc(S)cc1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.34 | Num_heavy_atoms: | 21 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
