Glycoside
GD038632
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acidFormula:
C19H24O11N3P2ClSmiles:
Cn1c(=NOCc2ccc(Cl)cc2)ccn([C@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@@H]2O)c1=OAglycone:
COP(=O)(O)CP(=O)(O)O.Cn1c(=NOCc2ccc(Cl)cc2)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.8 | Num_heavy_atoms: | 35 |
| TPSA: | 202.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD24078
Formula: C13H12O2N3Cl
Smiles:
Cn1c(=NOCc2ccc(Cl)cc2)cc[nH]c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.7 | Num_heavy_atoms: | 18 |
| TPSA: | 59.38 | NumAromaticRings: | 2 |
