Glycoside
GD117069
Name:
Neopolyoxin BFormula:
C20H25O11N5Smiles:
CC(C(N)C(O)=NC(C(=O)O)C1OC(n2cc(C(=O)O)nc2O)C(O)C1O)C(O)c1ccc(O)cn1Aglycone:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1.O=C(O)C1=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 511.44 | Num_heavy_atoms: | 36 |
| TPSA: | 274.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD45908
Formula: C12H17O5N3
Smiles:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.28 | Num_heavy_atoms: | 20 |
| TPSA: | 149.26 | NumAromaticRings: | 1 |
AD46616
Formula: C4H3O3N2
Smiles:
O=C(O)C1=C[N]C(O)=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.08 | Num_heavy_atoms: | 9 |
| TPSA: | 83.99 | NumAromaticRings: | 0 |
