Glycoside
GD040380
Name:
1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitolFormula:
C23H35O16N4P3Smiles:
CC=C(CCO[P@](=O)(O)OP(=O)(O)O)C[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:
CC=C(CCOP(=O)(O)OP(=O)(O)O)CC12Nc3cc(C)c(C)cc3N(C)C1=NC(=O)NC2=OSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 716.47 | Num_heavy_atoms: | 46 |
| TPSA: | 314.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD24749
Formula: C19H26O9N4P2
Smiles:
CC=C(CCOP(=O)(O)OP(=O)(O)O)CC12Nc3cc(C)c(C)cc3N(C)C1=NC(=O)NC2=O| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.38 | Num_heavy_atoms: | 34 |
| TPSA: | 187.09 | NumAromaticRings: | 1 |
