Glycoside
GD038364
Name:
1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitolFormula:
C24H27O10N4PSmiles:
Cc1cc2c(cc1C)N(C(=O)c1ccccc1)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)c1ccccc1)c1c([nH]c(=O)[nH]c1=O)N2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 562.47 | Num_heavy_atoms: | 39 |
| TPSA: | 216.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD23987
Formula: C20H18O3N4
Smiles:
Cc1cc2c(cc1C)N(C(=O)c1ccccc1)c1c([nH]c(=O)[nH]c1=O)N2C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.39 | Num_heavy_atoms: | 27 |
| TPSA: | 89.27 | NumAromaticRings: | 3 |
