Glycoside
...
GD089874

Name:
None

Formula:
C16H23O9N3S

Smiles:
CCOc1ccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2c1

Aglycone:
CCOc1ccc2ncnc(N)c2c1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.5
AlogP: 0.4 Num_rotatable_bonds: 7
MolWt: 433.44 Num_heavy_atoms: 29
TPSA: 186.88 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
AD32888
Formula: C10H11ON3

Smiles:
CCOc1ccc2ncnc(N)c2c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.61 Num_rotatable_bonds: 2
MolWt: 189.22 Num_heavy_atoms: 14
TPSA: 61.03 NumAromaticRings: 2

Sugarmoiety
SD00017

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