Glycoside
GD150296
Name:
4-O-Methylellagic Acid 3'-Alpha-RhamnosideFormula:
C21H18O12Smiles:
COc1cc2c(=O)oc3c(OC4OC(C)C(O)C(O)C4O)c(O)cc4c(=O)oc(c1O)c2c34Aglycone:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.36 | Num_heavy_atoms: | 33 |
| TPSA: | 189.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD45685
Formula: C15H8O8
Smiles:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.22 | Num_heavy_atoms: | 23 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
