Glycoside
...
GD002326

Name:
None

Formula:
C22H32O19N10P4S2

Smiles:
C[n+]1cn([C@H]2O[C@@H](CO[P@](=O)(S)OP(=O)([O-])OP(=O)([O-])O[P@](=O)(S)OC[C@H]3O[C@@H](n4c[n+](C)c5c(O)nc(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c2nc(N)nc(O)c21

Aglycone:
COP(=O)(S)OP(=O)([O-])OP(=O)([O-])OP(=O)(S)OC.C[N+]1=C[N]c2nc(N)nc(O)c21.C[N+]1=C[N]c2nc(N)nc(O)c21

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

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 10 FractionCSP3: 0.55
AlogP: -3.57 Num_rotatable_bonds: 14
MolWt: 928.58 Num_heavy_atoms: 57
TPSA: 421.61 NumAromaticRings: 4

Unique Aglycone
AD02044
Formula: C6H7ON5

Smiles:
C[N+]1=C[N]c2nc(N)nc(O)c21
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: -0.68 Num_rotatable_bonds: 0
MolWt: 165.16 Num_heavy_atoms: 12
TPSA: 89.14 NumAromaticRings: 1
AD02230
Formula: C2H8O11P4S2

Smiles:
COP(=O)(S)OP(=O)([O-])OP(=O)([O-])OP(=O)(S)OC
HBA: 11 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.34 Num_rotatable_bonds: 8
MolWt: 396.11 Num_heavy_atoms: 19
TPSA: 160.55 NumAromaticRings: 0

Sugarmoiety
SD00025

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