Glycoside
GD037741
Name:
palmitoyl adenylateFormula:
C26H44O8N5PSmiles:
CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 19 |
| MolWt: | 585.64 | Num_heavy_atoms: | 40 |
| 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 |
AD23718
Formula: C17H35O5P
Smiles:
CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 16 |
| MolWt: | 350.44 | Num_heavy_atoms: | 23 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
