Glycoside
GD119792
Name:
2,3-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanedioic acidFormula:
C12H14O8Smiles:
COc1cc(CC(O)(C(=O)O)C(O)C(=O)O)ccc1OAglycone:
COc1cc(C)ccc1OSugarmoiety:
O=C(O)C(O)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.24 | Num_heavy_atoms: | 20 |
| TPSA: | 144.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD16458
Formula: C8H10O2
Smiles:
COc1cc(C)ccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
