Glycoside
GD117611
Name:
[3,4,5-tris(acetyloxy)-6-(4-aminophenoxy)oxan-2-yl]methyl acetateFormula:
C20H25O10NSmiles:
CC(=O)OCC1OC(Oc2ccc(N)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Nc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.42 | Num_heavy_atoms: | 31 |
| TPSA: | 149.68 | 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 |
AD15310
Formula: C6H7ON
Smiles:
Nc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
