Glycoside
...
GD092333

Name:
None

Formula:
C16H22O8N3ClS

Smiles:
CCCc1cc(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:
CCCc1cc(C#N)c(N)nc1Cl.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: 0.93 Num_rotatable_bonds: 7
MolWt: 439.87 Num_heavy_atoms: 28
TPSA: 188.55 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
AD33156
Formula: C10H10N3Cl

Smiles:
CCCc1cc(C#N)c(N)nc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 2.14 Num_rotatable_bonds: 2
MolWt: 195.65 Num_heavy_atoms: 13
TPSA: 62.7 NumAromaticRings: 1

Sugarmoiety
SD00017

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