Glycoside
GD009506
Name:
NoneFormula:
C23H32O8N4Smiles:
COc1ncnc2c1ncn2[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.COC(=O)C(C)C.COc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.53 | Num_heavy_atoms: | 35 |
| 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 |
AD01211
Formula: C6H5ON4
Smiles:
COc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
