Glycoside
GD095847
Name:
NoneFormula:
C21H26O11N2Smiles:
COC(=O)CO[C@@H]1[C@H](NC(=O)c2cccnc2)[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(=O)CO.COC(C)=O.NC(=O)c1cccnc1Sugarmoiety:
CC(=O)OCC1OOC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 165.65 | 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 |
AD08243
Formula: C6H6ON2
Smiles:
NC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.13 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
AD09952
Formula: C3H6O3
Smiles:
COC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
