Glycoside
GD038361
Name:
1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitolFormula:
C18H22O9N3PSmiles:
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)c2cc1CAglycone:
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C)c2cc1CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.36 | Num_heavy_atoms: | 31 |
| TPSA: | 195.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD10558
Formula: C14H13O2N3
Smiles:
Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 255.28 | Num_heavy_atoms: | 19 |
| TPSA: | 67.75 | NumAromaticRings: | 1 |
