Glycoside
GD157392
Name:
Aeruginoside 126AFormula:
C36H54O9N6Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccccc1)C(=O)N1C(C(O)=NCCC2=CCN(C(=N)N)C2)CC2CCC(OC3OCC(O)C(O)C3O)CC21Aglycone:
CC(C)CC(N=C(O)C(O)Cc1ccccc1)C(=O)N1C(C(O)=NCCC2=CCN(C(=N)N)C2)CC2CCC(O)CC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 714.86 | Num_heavy_atoms: | 51 |
| TPSA: | 237.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD62229
Formula: C31H46O5N6
Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccccc1)C(=O)N1C(C(O)=NCCC2=CCN(C(=N)N)C2)CC2CCC(O)CC21| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.75 | Num_heavy_atoms: | 42 |
| TPSA: | 179.06 | NumAromaticRings: | 1 |
