Glycoside
GD147798
Name:
Gdp-N,N'-DiacetylbacillosamineFormula:
C20H31O15N7P2Smiles:
CC(O)=NC1C(C)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(O)nc(=N)[nH]c43)C(O)C2O)C(N=C(C)O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=C(C)O)C(O)C1N=C(C)O.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 671.45 | Num_heavy_atoms: | 44 |
| TPSA: | 337.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
AD59172
Formula: C11H22O11N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=C(C)O)C(O)C1N=C(C)O| HBA: | 13 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.25 | Num_heavy_atoms: | 26 |
| TPSA: | 196.93 | NumAromaticRings: | 0 |
