Glycoside
GD002521
Name:
MURAGLITAZAR GLUCURONIDEFormula:
C35H36O13N2Smiles:
COc1ccc(OC(=O)N(CC(=O)O[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2C(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1Aglycone:
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1Sugarmoiety:
O=C(O)C1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 692.67 | Num_heavy_atoms: | 50 |
| TPSA: | 207.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD02396
Formula: C29H28O7N2
Smiles:
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 516.55 | Num_heavy_atoms: | 38 |
| TPSA: | 111.33 | NumAromaticRings: | 4 |
