Glycoside
GD004087
Name:
MEGLUCYCLINEFormula:
C29H37O13N3Smiles:
CN(C)[C@@H]1C(O)=C(C(=O)NCN[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]12Aglycone:
CN(C)C1C(O)=C(C(=O)NCN)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 635.62 | Num_heavy_atoms: | 45 |
| TPSA: | 269.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD03624
Formula: C23H27O8N3
Smiles:
CN(C)C1C(O)=C(C(=O)NCN)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 473.48 | Num_heavy_atoms: | 34 |
| TPSA: | 193.65 | NumAromaticRings: | 1 |
