Glycoside
GD037740
Name:
stearoyl adenylateFormula:
C28H48O8N5PSmiles:
CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 21 |
| MolWt: | 613.69 | Num_heavy_atoms: | 42 |
| TPSA: | 192.14 | 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 |
AD23717
Formula: C19H39O5P
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 18 |
| MolWt: | 378.49 | Num_heavy_atoms: | 25 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
