Glycoside
...
GD086511

Name:
None

Formula:
C16H22O9NClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](N[C@H]2COc3ccc(Cl)cc3C2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1COc2ccc(Cl)cc2C1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: 0.2 Num_rotatable_bonds: 5
MolWt: 427.86 Num_heavy_atoms: 27
TPSA: 161.1 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
AD29338
Formula: C10H10ONCl

Smiles:
NC1COc2ccc(Cl)cc2C1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.6 Num_rotatable_bonds: 0
MolWt: 183.64 Num_heavy_atoms: 12
TPSA: 35.25 NumAromaticRings: 1

Sugarmoiety
SD00017

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