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 phosphate

Formula:
C17H27O17N5P2

Smiles:
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]1

Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc(=O)c2c([nH]1)[N]C=N2

Sugarmoiety:
OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1O

Other 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)O
HBA: 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=N2
HBA: 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

Sugarmoiety
SD00639

OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1O