Glycoside
GD139935
Name:
[3,4,5-tris(acetyloxy)-6-(2-phenylethoxy)oxan-2-yl]methyl acetateFormula:
C22H28O10Smiles:
CC(=O)OCC1OC(OCCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 123.66 | 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 |
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
