Glycoside
...
GD017398

Name:
None

Formula:
C22H31O18N10P3

Smiles:
CO[C@@H]1[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)O[C@H](n2c[n+](C)c3c(=O)[nH]c(N)nc32)[C@H]1O

Aglycone:
COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 6
HBD: 11 FractionCSP3: 0.55
AlogP: -4.53 Num_rotatable_bonds: 13
MolWt: 816.46 Num_heavy_atoms: 53
TPSA: 410.2 NumAromaticRings: 4

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
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
AD01306
Formula: C2H8O10P3

Smiles:
COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC
HBA: 10 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.02 Num_rotatable_bonds: 6
MolWt: 285.0 Num_heavy_atoms: 15
TPSA: 151.65 NumAromaticRings: 0
AD02176
Formula: C6H7ON5

Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: -1.1 Num_rotatable_bonds: 0
MolWt: 165.16 Num_heavy_atoms: 12
TPSA: 88.88 NumAromaticRings: 1

Sugarmoiety
SD00513

COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O