Glycoside
GD100977
Name:
NoneFormula:
C25H26O5N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3ccc(Cc4ccccc4)cc3)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)c1ccc(Cc3ccccc3)cc1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.52 | Num_heavy_atoms: | 36 |
| TPSA: | 161.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD42679
Formula: C19H15ON6
Smiles:
N=c1nc2c(c(N)n1C(=O)c1ccc(Cc3ccccc3)cc1)N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.37 | Num_heavy_atoms: | 26 |
| TPSA: | 111.22 | NumAromaticRings: | 3 |
