Glycoside
GD036869
Name:
NoneFormula:
C24H34O8N4Smiles:
CCOc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CCOc1ncnc2c1N=C[N]2.COC(=O)C(C)CSugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.56 | Num_heavy_atoms: | 36 |
| TPSA: | 140.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11617
Formula: C7H7ON4
Smiles:
CCOc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
