Glycoside
GD145145
Name:
34'-Di-O-Methylellagic Acid 4-O-β-D-3''6''-Di-O-AcetylglucopyranosideFormula:
C26H24O15Smiles:
COc1cc2c(=O)oc3c(OC)c(OC4OC(COC(C)=O)C(O)C(OC(C)=O)C4O)cc4c(=O)oc(c1O)c2c34Aglycone:
COC(C)=O.COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1O)c2c34Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.46 | Num_heavy_atoms: | 41 |
| TPSA: | 210.63 | NumAromaticRings: | 4 |
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 |
AD56317
Formula: C16H10O8
Smiles:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1O)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
