Glycoside
GD030444
Name:
NoneFormula:
C21H20O8N5ClSmiles:
O=C(O)C(OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
COC(C(=O)O)C(=O)O.Clc1nc2c(c(NCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.86 | Num_heavy_atoms: | 34 |
| TPSA: | 189.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD01702
Formula: C13H9N5Cl
Smiles:
Clc1nc2c(c(NCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD19701
Formula: C4H6O5
Smiles:
COC(C(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.09 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
