Glycoside
...
GD089800

Name:
None

Formula:
C16H25O9N2ClS

Smiles:
CCCCOc1cnc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(Cl)c1

Aglycone:
CCCCOc1cnc(N)c(Cl)c1.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: 1.29 Num_rotatable_bonds: 9
MolWt: 444.89 Num_heavy_atoms: 28
TPSA: 173.99 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
AD33238
Formula: C10H13ON2Cl

Smiles:
CCCCOc1cnc(N)c(Cl)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.44
AlogP: 2.5 Num_rotatable_bonds: 4
MolWt: 200.67 Num_heavy_atoms: 13
TPSA: 48.14 NumAromaticRings: 1

Sugarmoiety
SD00017

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