Glycoside
GD017171
Name:
ELLAGIC ACID 4-O-XYLOPYRANOSIDEFormula:
C19H14O12Smiles:
O=c1oc2c(O)c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23Aglycone:
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 434.31 | Num_heavy_atoms: | 31 |
| TPSA: | 200.26 | 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 |
