Glycoside
...
GD099273

Name:
None

Formula:
C18H22O8N4S2

Smiles:
CSc1nc(-c2ccccc2)nc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1C#N

Aglycone:
COS(O)(O)O.CSc1nc(-c2ccccc2)nc(N)c1C#N

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.39
AlogP: 1.11 Num_rotatable_bonds: 7
MolWt: 486.53 Num_heavy_atoms: 32
TPSA: 201.44 NumAromaticRings: 2

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
AD42226
Formula: C12H10N4S

Smiles:
CSc1nc(-c2ccccc2)nc(N)c1C#N
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.32 Num_rotatable_bonds: 2
MolWt: 242.31 Num_heavy_atoms: 17
TPSA: 75.59 NumAromaticRings: 2

Sugarmoiety
SD00017

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