Glycoside
GD029231
Name:
TROGLITAZONE GLUCURONIDEFormula:
C30H35O11NSSmiles:
Cc1c(C)c2c(c(C)c1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2Aglycone:
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 617.67 | Num_heavy_atoms: | 43 |
| TPSA: | 181.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD19039
Formula: C24H27O5NS
Smiles:
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.55 | Num_heavy_atoms: | 31 |
| TPSA: | 84.86 | NumAromaticRings: | 2 |
