Glycoside
GD038654
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acidFormula:
C20H27O13N3P2Smiles:
COC(=O)c1ccc(CON=c2ccn([C@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@@H]3O)c(=O)n2C)cc1Aglycone:
COC(=O)c1ccc(CON=c2cc[nH]c(=O)n2C)cc1.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 579.39 | Num_heavy_atoms: | 38 |
| TPSA: | 228.57 | 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 |
AD24090
Formula: C14H15O4N3
Smiles:
COC(=O)c1ccc(CON=c2cc[nH]c(=O)n2C)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.29 | Num_heavy_atoms: | 21 |
| TPSA: | 85.68 | NumAromaticRings: | 2 |
