Glycoside
GD130536
Name:
aeruginosin nal4Formula:
C37H58O10N6Smiles:
CCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(C=O)CCCNC(=N)N)CC2CCC(OC3OC(CO)C(O)C3O)CC21Aglycone:
CCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(C=O)CCCNC(=N)N)CC2CCC(O)CC21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 20 |
| MolWt: | 746.9 | Num_heavy_atoms: | 53 |
| TPSA: | 263.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD52899
Formula: C32H50O6N6
Smiles:
CCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(C=O)CCCNC(=N)N)CC2CCC(O)CC21| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.66 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 17 |
| MolWt: | 614.79 | Num_heavy_atoms: | 44 |
| TPSA: | 204.92 | NumAromaticRings: | 1 |
