Glycoside
GD028038
Name:
NoneFormula:
C18H17O5N4ClSmiles:
Cc1nn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2c(=O)n(-c3ccc(Cl)cc3)cnc12Aglycone:
CC1=N[N]c2c1ncn(-c1ccc(Cl)cc1)c2=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.8 | Num_heavy_atoms: | 27 |
| TPSA: | 122.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD04491
Formula: C13H8ON4Cl
Smiles:
CC1=N[N]c2c1ncn(-c1ccc(Cl)cc1)c2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 259.68 | Num_heavy_atoms: | 18 |
| TPSA: | 61.35 | NumAromaticRings: | 2 |
