Glycoside
...
GD034092

Name:
None

Formula:
C22H23O16N10P4ClS2I2

Smiles:
Nc1nc(I)nc2c1ncn2[C@H]1O[C@@H](COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC[C@H]2O[C@@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC.Nc1nc(I)nc2c1N=C[N]2.Nc1nc(I)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 8 FractionCSP3: 0.52
AlogP: -0.72 Num_rotatable_bonds: 14
MolWt: 1148.76 Num_heavy_atoms: 56
TPSA: 389.94 NumAromaticRings: 4

Unique Aglycone
AD01497
Formula: C5H3N5I

Smiles:
Nc1nc(I)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.57 Num_rotatable_bonds: 0
MolWt: 260.02 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1
AD05097
Formula: C4H7O10P4ClS2

Smiles:
COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC
HBA: 10 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.25 Num_rotatable_bonds: 8
MolWt: 426.56 Num_heavy_atoms: 20
TPSA: 151.32 NumAromaticRings: 0

Sugarmoiety
SD00025

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