Glycoside
GD147075
Name:
[3,4-bis(acetyloxy)-5-{[3-(acetyloxy)-5-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2-{[4,5,6-tris(acetyloxy)oxan-3-yl]oxy}oxan-4-yl]oxy}oxolan-2-yl]methyl acetateFormula:
C40H54O27Smiles:
CC(=O)OCC1OC(OC2C(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)COC(OC3COC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1COC(OC2COC(OC3COC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC2OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 17 |
| MolWt: | 966.85 | Num_heavy_atoms: | 67 |
| TPSA: | 327.61 | 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
SD09405
CC(=O)OC1COC(OC2COC(OC3COC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC2OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O