Glycoside
GD039827
Name:
3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco pyranoseFormula:
C14H22O13N2P2Smiles:
Cc1ncc(COP(=O)(O)O)c(C=N[C@H]2[C@H](O)[C@H](O)O[C@H](COP(=O)(O)O)[C@@H]2O)c1OAglycone:
COP(=O)(O)O.Cc1ncc(COP(=O)(O)O)c(C=N)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 488.28 | Num_heavy_atoms: | 31 |
| TPSA: | 248.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23938
Formula: C8H11O5N2P
Smiles:
Cc1ncc(COP(=O)(O)O)c(C=N)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.16 | Num_heavy_atoms: | 16 |
| TPSA: | 123.73 | NumAromaticRings: | 1 |
