Glycoside
GD040021
Name:
8-demethyl-8-dimethylamino-flavin-adenine-dinucleotideFormula:
C28H36O15N10P2Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1N(C)CAglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1N(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 814.6 | Num_heavy_atoms: | 55 |
| TPSA: | 366.17 | NumAromaticRings: | 3 |
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 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD20332
Formula: C14H15O2N5
Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1N(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.31 | Num_heavy_atoms: | 21 |
| TPSA: | 83.88 | NumAromaticRings: | 1 |
