Glycoside
GD127070
Name:
1-(acetyloxy)-3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)propan-2-yl acetateFormula:
C15H24O11Smiles:
CC(=O)OCC(COC1OC(COC(C)=O)C(O)C(O)C1O)OC(C)=OAglycone:
CC(=O)OCC(CO)OC(C)=O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 380.35 | Num_heavy_atoms: | 26 |
| TPSA: | 158.05 | 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 |
AD15243
Formula: C7H12O5
Smiles:
CC(=O)OCC(CO)OC(C)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
