Glycoside
...
GD011707

Name:
None

Formula:
C25H28O16N10P4Cl2S4

Smiles:
CSc1nc(N)c2ncn([C@H]3O[C@@H](COP(=O)([S-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])OP(=O)([S-])OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1

Aglycone:
COP(=O)([S-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])OP(=O)([S-])OC.CSc1nc(N)c2c(n1)[N]C=N2.CSc1nc(N)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 8 FractionCSP3: 0.57
AlogP: 0.08 Num_rotatable_bonds: 16
MolWt: 1023.6 Num_heavy_atoms: 59
TPSA: 389.94 NumAromaticRings: 4

Unique Aglycone
AD00851
Formula: C6H6N5S

Smiles:
CSc1nc(N)c2c(n1)[N]C=N2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 0.69 Num_rotatable_bonds: 1
MolWt: 180.22 Num_heavy_atoms: 12
TPSA: 78.26 NumAromaticRings: 1
AD08916
Formula: C5H6O10P4Cl2S2

Smiles:
COP(=O)([S-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])OP(=O)([S-])OC
HBA: 10 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.82 Num_rotatable_bonds: 8
MolWt: 461.01 Num_heavy_atoms: 21
TPSA: 151.32 NumAromaticRings: 0

Sugarmoiety
SD00025

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