Glycoside
GD009793
Name:
GREPAFLOXACIN GLUCURONIDEFormula:
C25H30O9N3FSmiles:
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)cn2C1CC1Aglycone:
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 535.53 | Num_heavy_atoms: | 38 |
| TPSA: | 170.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD07652
Formula: C19H22O3N3F
Smiles:
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.4 | Num_heavy_atoms: | 26 |
| TPSA: | 74.57 | NumAromaticRings: | 2 |
