Glycoside

GD039255
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphateFormula:
C17H27O17N5P2Smiles:
Nc1nc(=O)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 4 |
HBD: | 12 | FractionCSP3: | 0.71 |
AlogP: | -5.27 | Num_rotatable_bonds: | 10 |
MolWt: | 635.37 | Num_heavy_atoms: | 41 |
TPSA: | 351.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OHBA: | 7 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
MolWt: | 192.0 | Num_heavy_atoms: | 10 |
TPSA: | 113.29 | NumAromaticRings: | 0 |
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2HBA: | 6 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
MolWt: | 150.12 | Num_heavy_atoms: | 11 |
TPSA: | 98.23 | NumAromaticRings: | 1 |