Glycoside
...
GD080255

Name:
None

Formula:
C14H23O9NS2

Smiles:
Cc1ccc(CCC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)s1

Aglycone:
COS(O)(O)O.Cc1ccc(CCC(N)=O)s1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.64
AlogP: 0.07 Num_rotatable_bonds: 7
MolWt: 413.47 Num_heavy_atoms: 26
TPSA: 168.94 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
AD28843
Formula: C8H11ONS

Smiles:
Cc1ccc(CCC(N)=O)s1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 1.47 Num_rotatable_bonds: 3
MolWt: 169.25 Num_heavy_atoms: 11
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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