Glycoside
...
GD017774

Name:
None

Formula:
C40H53O22N24P3

Smiles:
Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@H](CO)O[C@H]4n4c(N)nc5c(N)ncnc54)O[C@H]3n3c(N)nc4c(N)ncnc43)O[C@H]2n2c(N)nc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.NC1=Nc2c(N)ncnc2[N]1.NC1=Nc2c(N)ncnc2[N]1.NC1=Nc2c(N)ncnc2[N]1.NC1=Nc2c(N)ncnc2[N]1

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 46 RingCount: 12
HBD: 25 FractionCSP3: 0.5
AlogP: -6.1 Num_rotatable_bonds: 20
MolWt: 1314.93 Num_heavy_atoms: 89
TPSA: 708.14 NumAromaticRings: 8

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
AD04511
Formula: C5H5N6

Smiles:
NC1=Nc2c(N)ncnc2[N]1
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.75 Num_rotatable_bonds: 0
MolWt: 149.14 Num_heavy_atoms: 11
TPSA: 104.28 NumAromaticRings: 1

Sugarmoiety
SD02089

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O