Glycoside
GD039900
Name:
pantoyl adenylateFormula:
C16H24O10N5PSmiles:
CC(C)(CO)[C@@H](O)C(=O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(O)C(C)(C)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.37 | Num_heavy_atoms: | 32 |
| TPSA: | 232.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24580
Formula: C7H15O7P
Smiles:
COP(=O)(O)OC(=O)C(O)C(C)(C)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 242.16 | Num_heavy_atoms: | 15 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
