Glycoside
GD039020
Name:
alpha-fluoro-amidocarboxymethyldethia coenzyme a complexFormula:
C23H38O17N8FP3Smiles:
CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCC[C@@H](F)C(N)=OAglycone:
COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCC(F)C(N)=O.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.65 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 20 |
| MolWt: | 810.52 | Num_heavy_atoms: | 52 |
| TPSA: | 389.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD24240
Formula: C14H28O11N3FP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCC(F)C(N)=O| HBA: | 14 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 495.33 | Num_heavy_atoms: | 31 |
| TPSA: | 223.81 | NumAromaticRings: | 0 |
