Glycoside
GD038378
Name:
1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitolFormula:
C17H23O10N4PSmiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)C1=NC(=O)NC(=O)[C@@]1(O)N2Aglycone:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1(O)N2Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.36 | Num_heavy_atoms: | 32 |
| TPSA: | 221.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD24001
Formula: C13H14O3N4
Smiles:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1(O)N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.28 | Num_heavy_atoms: | 20 |
| TPSA: | 94.03 | NumAromaticRings: | 1 |
