Glycoside
GD039845
Name:
(2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acidFormula:
C13H19O12N4PSmiles:
Nc1c(C(=O)N[C@H](CC(=O)O)C(=O)O)ncn1[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.NC1=C(C(=O)NC(CC(=O)O)C(=O)O)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 454.29 | Num_heavy_atoms: | 30 |
| TPSA: | 263.99 | 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 |
AD24556
Formula: C8H9O5N4
Smiles:
NC1=C(C(=O)NC(CC(=O)O)C(=O)O)N=C[N]1| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 241.18 | Num_heavy_atoms: | 17 |
| TPSA: | 156.18 | NumAromaticRings: | 0 |
