Glycoside
GD120848
Name:
[3,4,6-tris(acetyloxy)-5-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C37H50O25Smiles:
CC(=O)OCC1OC(OC2C(OC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC2OCC(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)OCC1OOC(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 16 |
| MolWt: | 894.78 | Num_heavy_atoms: | 62 |
| TPSA: | 309.15 | 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 |
Sugarmoiety
SD05684
CC(=O)OCC1OOC(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O