Glycoside
GD092412
Name:
NoneFormula:
C18H23O9N3Smiles:
C#CCOCc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1Aglycone:
C#CCOCC1=C[N]N=N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 425.39 | Num_heavy_atoms: | 30 |
| TPSA: | 148.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD25194
Formula: C6H6ON3
Smiles:
C#CCOCC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.13 | Num_heavy_atoms: | 10 |
| TPSA: | 48.05 | NumAromaticRings: | 0 |
