Glycoside
...
GD072195

Name:
None

Formula:
C12H19O10NS2

Smiles:
COc1cscc1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.COc1cscc1C(N)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -0.55 Num_rotatable_bonds: 6
MolWt: 401.42 Num_heavy_atoms: 25
TPSA: 178.17 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
AD26502
Formula: C6H7O2NS

Smiles:
COc1cscc1C(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 0.86 Num_rotatable_bonds: 2
MolWt: 157.19 Num_heavy_atoms: 10
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

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