Glycoside
GD120402
Name:
[3,4-bis(acetyloxy)-6-bromo-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C26H35O17BrSmiles:
CC(=O)OCC1OC(Br)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(Br)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 699.45 | Num_heavy_atoms: | 44 |
| TPSA: | 211.79 | 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 |