Glycoside
GD125866
Name:
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 4-hydroxy-3-methoxybenzoateFormula:
C22H26O13Smiles:
COc1cc(C(=O)OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)ccc1OAglycone:
COC(C)=O.COc1cc(C(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.44 | Num_heavy_atoms: | 35 |
| TPSA: | 170.19 | 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 |
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
