Glycoside
GD140854
Name:
Pyloricidin CFormula:
C21H33O8N3Smiles:
CC(C)CC(N)C(O)=NC(CO)C(O)C(O)C(O)C(O)=NC(CC(=O)O)c1ccccc1Aglycone:
CC(C)CC(N)C(O)=NCCO.NC(CC(=O)O)c1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 455.51 | Num_heavy_atoms: | 32 |
| TPSA: | 209.42 | 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 |
AD56785
Formula: C8H18O2N2
Smiles:
CC(C)CC(N)C(O)=NCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 174.24 | Num_heavy_atoms: | 12 |
| TPSA: | 78.84 | NumAromaticRings: | 0 |
