Glycoside
GD022150
Name:
NoneFormula:
C18H20O5N4Smiles:
Cc1ccc(-n2cnc3c(C)nn(C4O[C@H](CO)[C@H](O)[C@H]4O)c3c2=O)cc1Aglycone:
CC1=N[N]c2c1ncn(-c1ccc(C)cc1)c2=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.38 | Num_heavy_atoms: | 27 |
| TPSA: | 122.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD15052
Formula: C13H11ON4
Smiles:
CC1=N[N]c2c1ncn(-c1ccc(C)cc1)c2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 239.26 | Num_heavy_atoms: | 18 |
| TPSA: | 61.35 | NumAromaticRings: | 2 |
