Glycoside
GD038390
Name:
1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitolFormula:
C17H21O9N4PSmiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)[C@@H](OP(=O)(O)O)[C@@H](O)CO)c2cc1CAglycone:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1CSugarmoiety:
O=P(O)(O)OC(C(O)O)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.35 | Num_heavy_atoms: | 31 |
| TPSA: | 208.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD07263
Formula: C13H12O2N4
Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
