Glycoside
GD144426
Name:
Pyloricidin BFormula:
C26H42O9N4Smiles:
CC(C)CC(N=C(O)C(N)C(C)C)C(O)=NC(CO)C(O)C(O)C(O)C(O)=NC(CC(=O)O)c1ccccc1Aglycone:
CC(C)CC(N=C(O)C(N)C(C)C)C(O)=NCCO.NC(CC(=O)O)c1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 16 |
| MolWt: | 554.64 | Num_heavy_atoms: | 39 |
| TPSA: | 242.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD49768
Formula: C9H11O2N
Smiles:
NC(CC(=O)O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
AD58044
Formula: C13H27O3N3
Smiles:
CC(C)CC(N=C(O)C(N)C(C)C)C(O)=NCCO| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 273.38 | Num_heavy_atoms: | 19 |
| TPSA: | 111.43 | NumAromaticRings: | 0 |
