Glycoside
GD102808
Name:
NoneFormula:
C22H25O5N6ClSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)CCCc3ccc(Cl)cc3)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)CCCc1ccc(Cl)cc1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.92 | Num_heavy_atoms: | 33 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD43519
Formula: C16H14ON6Cl
Smiles:
N=c1nc2c(c(N)n1C(=O)CCCc1ccc(Cl)cc1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.77 | Num_heavy_atoms: | 23 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
