Glycoside
...
GD097186

Name:
None

Formula:
C20H25O10NS

Smiles:
COc1ccc(-c2cccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2)cc1

Aglycone:
COS(O)(O)O.COc1ccc(-c2cccc(C(N)=O)c2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: 1.05 Num_rotatable_bonds: 7
MolWt: 471.48 Num_heavy_atoms: 32
TPSA: 178.17 NumAromaticRings: 2

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
AD41316
Formula: C14H13O2N

Smiles:
COc1ccc(-c2cccc(C(N)=O)c2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.46 Num_rotatable_bonds: 3
MolWt: 227.26 Num_heavy_atoms: 17
TPSA: 52.32 NumAromaticRings: 2

Sugarmoiety
SD00017

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