Glycoside
GD038367
Name:
1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitolFormula:
C22H28O13N4FPSmiles:
Cc1cc2c(cc1C)N(C(=O)C[C@](O)(CF)C(=O)O)c1c([nH]c(=O)[nH]c1=O)N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c(cc1C)N(C(=O)CC(O)(CF)C(=O)O)c1c([nH]c(=O)[nH]c1=O)N2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 606.45 | Num_heavy_atoms: | 41 |
| TPSA: | 274.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD23990
Formula: C18H19O6N4F
Smiles:
Cc1cc2c(cc1C)N(C(=O)CC(O)(CF)C(=O)O)c1c([nH]c(=O)[nH]c1=O)N2C| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.37 | Num_heavy_atoms: | 29 |
| TPSA: | 146.8 | NumAromaticRings: | 2 |
