Glycoside
GD116792
Name:
[3,4,5-tris(acetyloxy)-6-({4-methoxy-2,2,6-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl}oxy)oxan-2-yl]methyl acetateFormula:
C24H36O14Smiles:
COC1OC(C)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2OC(C)(C)OC12Aglycone:
COC(C)=O.COC1OC(C)C(O)C2OC(C)(C)OC12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.54 | Num_heavy_atoms: | 38 |
| TPSA: | 160.58 | 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 |
AD46452
Formula: C10H18O5
Smiles:
COC1OC(C)C(O)C2OC(C)(C)OC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.25 | Num_heavy_atoms: | 15 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
