Glycoside
GD034480
Name:
INDOMETHACIN GLUCURONIDEFormula:
C26H24O10NClSmiles:
COc1ccc2c(c1)c(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1Aglycone:
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 533.92 | Num_heavy_atoms: | 37 |
| TPSA: | 164.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD21915
Formula: C20H16O4NCl
Smiles:
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.79 | Num_heavy_atoms: | 25 |
| TPSA: | 68.53 | NumAromaticRings: | 3 |
