Glycoside
GD151187
Name:
3-O-Methyl-4'-(4''-O-Acetyl)-O-Alpha-L-Rhamnopyranosylellagic AcidFormula:
C23H20O13Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(OC4OC(C)C(OC(C)=O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.4 | Num_heavy_atoms: | 36 |
| TPSA: | 195.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD07122
Formula: C15H8O8
Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34| 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 |
