Glycoside
...
GD089014

Name:
None

Formula:
C16H23O10N3S

Smiles:
CCOC(=O)c1cc(C)nc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1C#N

Aglycone:
CCOC(=O)c1cc(C)nc(N)c1C#N.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.56
AlogP: -0.19 Num_rotatable_bonds: 7
MolWt: 449.44 Num_heavy_atoms: 30
TPSA: 214.85 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
AD38903
Formula: C10H11O2N3

Smiles:
CCOC(=O)c1cc(C)nc(N)c1C#N
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.3
AlogP: 1.02 Num_rotatable_bonds: 2
MolWt: 205.22 Num_heavy_atoms: 15
TPSA: 89.0 NumAromaticRings: 1

Sugarmoiety
SD00017

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