Glycoside
GD038633
Name:
[(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(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:
C12H18O10N3PSmiles:
N[C@@H](C=O)COP(=O)(O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OCC(N)C=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 395.26 | Num_heavy_atoms: | 26 |
| 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 |
AD24079
Formula: C4H10O5NP
Smiles:
COP(=O)(O)OCC(N)C=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 183.1 | Num_heavy_atoms: | 11 |
| TPSA: | 98.85 | NumAromaticRings: | 0 |
