Glycoside
...
GD082700

Name:
None

Formula:
C14H15O8N4ClS

Smiles:
N#Cc1cc(C#N)c(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc1Cl

Aglycone:
COS(O)(O)O.N#Cc1cc(C#N)c(Cl)nc1N

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.46
AlogP: -0.15 Num_rotatable_bonds: 5
MolWt: 422.8 Num_heavy_atoms: 27
TPSA: 212.34 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD29228
Formula: C8H3N4Cl

Smiles:
N#Cc1cc(C#N)c(Cl)nc1N
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.06 Num_rotatable_bonds: 0
MolWt: 178.58 Num_heavy_atoms: 12
TPSA: 86.49 NumAromaticRings: 1

Sugarmoiety
SD00017

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