Glycoside
...
GD071856

Name:
None

Formula:
C12H21O8N3S2

Smiles:
CCSc1cncc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n1

Aglycone:
CCSc1cncc(N)n1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.67
AlogP: -0.04 Num_rotatable_bonds: 7
MolWt: 399.45 Num_heavy_atoms: 25
TPSA: 177.65 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
AD26474
Formula: C6H9N3S

Smiles:
CCSc1cncc(N)n1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.17 Num_rotatable_bonds: 2
MolWt: 155.23 Num_heavy_atoms: 10
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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