Glycoside
GD135912
Name:
aeruginosin nol7Formula:
C39H64O10N6Smiles:
CCCCCCCCCC(O)=NC(Cc1ccc(O)cc1)C(=O)N1C(C(O)=NC(CO)CCCNC(=N)N)CC2CCC(OC3OC(CO)C(O)C3O)CC21Aglycone:
CCCCCCCCCC(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: | 0.74 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 22 |
| MolWt: | 776.97 | Num_heavy_atoms: | 55 |
| TPSA: | 267.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD54944
Formula: C34H56O6N6
Smiles:
CCCCCCCCCC(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: | 0.71 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 19 |
| MolWt: | 644.86 | Num_heavy_atoms: | 46 |
| TPSA: | 208.08 | NumAromaticRings: | 1 |
