Glycoside
GD118791
Name:
aeruginosin nol6Formula:
C37H60O10N6Smiles:
CCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(CO)CCCNC(=N)N)CC2CCC(OC3OC(CO)C(O)C3O)CC21Aglycone:
CCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(CO)CCCNC(=N)N)CC2CCC(O)CC21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.73 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 20 |
| MolWt: | 748.92 | Num_heavy_atoms: | 53 |
| TPSA: | 267.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD47529
Formula: C32H52O6N6
Smiles:
CCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(CO)CCCNC(=N)N)CC2CCC(O)CC21| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 17 |
| MolWt: | 616.8 | Num_heavy_atoms: | 44 |
| TPSA: | 208.08 | NumAromaticRings: | 1 |
