Glycoside
GD039030
Name:
dihydroflavine-adenine dinucleotideFormula:
C27H35O15N9P2Smiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2Aglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C)c1[nH]c(=O)[nH]c(=O)c1N2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 787.57 | Num_heavy_atoms: | 53 |
| TPSA: | 363.28 | NumAromaticRings: | 4 |
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 |
AD24248
Formula: C13H14O2N4
Smiles:
Cc1cc2c(cc1C)N(C)c1[nH]c(=O)[nH]c(=O)c1N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 258.28 | Num_heavy_atoms: | 19 |
| TPSA: | 80.99 | NumAromaticRings: | 2 |
