Glycoside
GD039055
Name:
6-(3-tetradecanoic acid) flavine mononucleotideFormula:
C31H47O11N4PSmiles:
CCCCCCCCCCC[C@H](CC(=O)O)c1c(C)c(C)cc2c1nc1c(=O)[nH]c(=O)nc-1n2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
CCCCCCCCCCCC(CC(=O)O)c1c(C)c(C)cc2c1nc1c(=O)[nH]c(=O)nc-1n2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 20 |
| MolWt: | 682.71 | Num_heavy_atoms: | 47 |
| TPSA: | 245.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD24258
Formula: C27H38O4N4
Smiles:
CCCCCCCCCCCC(CC(=O)O)c1c(C)c(C)cc2c1nc1c(=O)[nH]c(=O)nc-1n2C| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 482.63 | Num_heavy_atoms: | 35 |
| TPSA: | 117.94 | NumAromaticRings: | 1 |
