Glycoside
GD039065
Name:
1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitolFormula:
C17H23O9N4PSmiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2Aglycone:
Cc1cc2c(cc1C)N(C)c1[nH]c(=O)[nH]c(=O)c1N2Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.36 | Num_heavy_atoms: | 31 |
| TPSA: | 208.44 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
