Glycoside
GD146866
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-(4-acetamidophenoxy)oxan-2-yl]methyl acetateFormula:
C22H28O10N2Smiles:
CC(=O)OCC1OC(Oc2ccc(N=C(C)O)cc2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(O)=Nc1ccc(O)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 162.54 | 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 |
AD46660
Formula: C8H9O2N
Smiles:
CC(O)=Nc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
