Glycoside
GD148499
Name:
[3,5-bis(acetyloxy)-6-{[3-(acetyloxy)-4-acetamido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy}-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C36H49O23NSmiles:
CC(=O)OCC1OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3C4COC(O4)C(N=C(C)O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1C(O)C2COC(O2)C1N=C(C)O.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(O)C(OC(C)=O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)O1Other Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 15 |
| MolWt: | 863.77 | Num_heavy_atoms: | 60 |
| TPSA: | 298.37 | NumAromaticRings: | 0 |
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 |
AD59422
Formula: C10H15O6N
Smiles:
CC(=O)OC1C(O)C2COC(O2)C1N=C(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.23 | Num_heavy_atoms: | 17 |
| TPSA: | 97.58 | NumAromaticRings: | 0 |
