Glycoside
GD133922
Name:
4,5-bis(acetyloxy)-2-methoxy-3-[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]benzoic acidFormula:
C26H30O16Smiles:
COc1c(C(=O)O)cc(OC(C)=O)c(OC(C)=O)c1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(OC(C)=O)c(OC(C)=O)cc1C(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.51 | Num_heavy_atoms: | 42 |
| TPSA: | 213.56 | 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 |
AD54177
Formula: C12H12O7
Smiles:
COc1cc(OC(C)=O)c(OC(C)=O)cc1C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.22 | Num_heavy_atoms: | 19 |
| TPSA: | 99.13 | NumAromaticRings: | 1 |
