Glycoside
GD099309
Name:
NoneFormula:
C20H24O10N4Smiles:
COc1nc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ncc1C#NAglycone:
COC(C)=O.COc1nc(N)ncc1C#NSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.43 | Num_heavy_atoms: | 34 |
| TPSA: | 185.26 | 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 |
AD26790
Formula: C6H6ON4
Smiles:
COc1nc(N)ncc1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 84.82 | NumAromaticRings: | 1 |
