Glycoside
GD040031
Name:
3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acidFormula:
C14H18O9N4Smiles:
O=C(O)CCc1nc2c(=O)[nH]c(=O)nc-2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1OAglycone:
Cn1c2nc(=O)[nH]c(=O)c-2nc(CCC(=O)O)c1OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.32 | Num_heavy_atoms: | 27 |
| TPSA: | 219.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD24636
Formula: C10H10O5N4
Smiles:
Cn1c2nc(=O)[nH]c(=O)c-2nc(CCC(=O)O)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.21 | Num_heavy_atoms: | 19 |
| TPSA: | 138.17 | NumAromaticRings: | 0 |
