Glycoside
GD039860
Name:
1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitolFormula:
C23H35O17N4P3Smiles:
C=C(CCO[P@](=O)(O)OP(=O)(O)O)[C@@H](CO)[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:
C=C(CCOP(=O)(O)OP(=O)(O)O)C(CO)C12Nc3cc(C)c(C)cc3N(C)C1=NC(=O)NC2=OSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 732.47 | Num_heavy_atoms: | 47 |
| TPSA: | 334.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD24560
Formula: C19H26O10N4P2
Smiles:
C=C(CCOP(=O)(O)OP(=O)(O)O)C(CO)C12Nc3cc(C)c(C)cc3N(C)C1=NC(=O)NC2=O| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 532.38 | Num_heavy_atoms: | 35 |
| TPSA: | 207.32 | NumAromaticRings: | 1 |
