Glycoside
GD122910
Name:
6'-Acetyl-β-D-GlucopyranosyldiderrosideFormula:
C21H30O14Smiles:
COC(=O)C1=COC(OC2OC(COC(C)=O)C(O)C(O)C2O)C(C(C)OC(C)=O)C1CC(=O)OAglycone:
COC(=O)C1=COC(O)C(C(C)OC(C)=O)C1CC(=O)O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 204.58 | 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 |
AD40408
Formula: C13H18O8
Smiles:
COC(=O)C1=COC(O)C(C(C)OC(C)=O)C1CC(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 302.28 | Num_heavy_atoms: | 21 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
