Glycoside
GD158252
Name:
Pyralomicin 2AFormula:
C21H19O8NCl2Smiles:
COC1C(CO)OC(n2c(Cl)cc3c(=O)c4c(O)c(Cl)cc(C)c4oc32)C(O)C1OAglycone:
Cc1cc(Cl)c(O)c2c(=O)c3c(oc12)[N]C(Cl)=C3Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 460.27 | Num_heavy_atoms: | 30 |
| TPSA: | 134.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD50002
Formula: C14H6O3NCl2
Smiles:
Cc1cc(Cl)c(O)c2c(=O)c3c(oc12)[N]C(Cl)=C3| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 283.09 | Num_heavy_atoms: | 18 |
| TPSA: | 64.54 | NumAromaticRings: | 2 |
