Glycoside
GD038375
Name:
1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitolFormula:
C19H25O13N4PSmiles:
COC(=O)OO[C@]12Nc3cc(C)c(C)cc3N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)C1=NC(=O)NC2=OAglycone:
COC(=O)OOC12Nc3cc(C)c(C)cc3N(C)C1=NC(=O)NC2=OSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.4 | Num_heavy_atoms: | 37 |
| TPSA: | 246.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD23998
Formula: C15H16O6N4
Smiles:
COC(=O)OOC12Nc3cc(C)c(C)cc3N(C)C1=NC(=O)NC2=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.56 | NumAromaticRings: | 1 |
