Glycoside
...
GD096985

Name:
None

Formula:
C17H24O9NClS2

Smiles:
C[C@@H](CC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)Sc1ccc(Cl)cc1

Aglycone:
CC(CC(N)=O)Sc1ccc(Cl)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.56
AlogP: 1.29 Num_rotatable_bonds: 8
MolWt: 473.95 Num_heavy_atoms: 29
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
AD36025
Formula: C11H12ONClS

Smiles:
CC(CC(N)=O)Sc1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.3
AlogP: 2.7 Num_rotatable_bonds: 4
MolWt: 229.73 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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