Glycoside
GD130056
Name:
[3,4,5-tris(acetyloxy)-6-[(2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl)oxy]oxan-2-yl]methyl acetateFormula:
C20H26O12Smiles:
CC(=O)OCC1OC(OC2=C(C)OC(C)C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1=C(O)C(=O)C(C)O1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.42 | Num_heavy_atoms: | 32 |
| TPSA: | 149.96 | 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 |
AD52691
Formula: C6H8O3
Smiles:
CC1=C(O)C(=O)C(C)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.13 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
