Glycoside
GD129914
Name:
Aeruginoside 126BFormula:
C34H54O9N6Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccccc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(OC3OCC(O)C(O)C3O)CC21Aglycone:
CC(C)CC(N=C(O)C(O)Cc1ccccc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(O)CC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 690.84 | Num_heavy_atoms: | 49 |
| TPSA: | 246.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD52634
Formula: C29H46O5N6
Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccccc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(O)CC21| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.66 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 558.72 | Num_heavy_atoms: | 40 |
| TPSA: | 187.85 | NumAromaticRings: | 1 |
