Glycoside
GD122888
Name:
Ellagic Acid 4-O-α-L-3''-O-AcetylrhamnopyranosideFormula:
C22H18O13Smiles:
CC(=O)OC1C(O)C(C)OC(Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)C1OAglycone:
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.37 | Num_heavy_atoms: | 35 |
| TPSA: | 206.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD12288
Formula: C14H6O8
Smiles:
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.19 | Num_heavy_atoms: | 22 |
| TPSA: | 141.34 | NumAromaticRings: | 4 |
