Glycoside
GD038634
Name:
[(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphateFormula:
C13H20O10N3PSmiles:
C[C@@H](OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@@H](N)C=OAglycone:
COP(=O)(O)OC(C)C(N)C=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.29 | Num_heavy_atoms: | 27 |
| TPSA: | 203.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24080
Formula: C5H12O5NP
Smiles:
COP(=O)(O)OC(C)C(N)C=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 197.13 | Num_heavy_atoms: | 12 |
| TPSA: | 98.85 | NumAromaticRings: | 0 |
