Glycoside
GD027257
Name:
Arillatose BFormula:
C22H30O14Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OC3(CO)OC(CO)C(O)C3O)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.47 | Num_heavy_atoms: | 36 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
