Glycoside
GD147191
Name:
Prunose IiFormula:
C29H36O17Smiles:
CC(=O)OCC1OC(OC2(COC(C)=O)OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C(O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(O)C(O)C2O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 656.59 | Num_heavy_atoms: | 46 |
| TPSA: | 240.11 | NumAromaticRings: | 1 |
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 |
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
