Glycoside
GD126405
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-(3-methoxyphenoxy)oxan-2-yl]methyl acetateFormula:
C21H27O10NSmiles:
COc1cccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)c1Aglycone:
COC(C)=O.COc1cccc(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 453.44 | Num_heavy_atoms: | 32 |
| TPSA: | 139.18 | 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 |
AD05785
Formula: C7H8O2
Smiles:
COc1cccc(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
