Glycoside
GD038362
Name:
1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitolFormula:
C25H29O10N4PSmiles:
Cc1cc2c(cc1C)N(C(=O)Cc1ccccc1)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)Cc1ccccc1)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: | 0.32 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.5 | Num_heavy_atoms: | 40 |
| TPSA: | 216.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD23986
Formula: C21H20O3N4
Smiles:
Cc1cc2c(cc1C)N(C(=O)Cc1ccccc1)c1c([nH]c(=O)[nH]c1=O)N2C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.42 | Num_heavy_atoms: | 28 |
| TPSA: | 89.27 | NumAromaticRings: | 3 |
