Glycoside
...
GD080725

Name:
None

Formula:
C16H22O9N2S

Smiles:
Cn1ccc2cccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c21

Aglycone:
COS(O)(O)O.Cn1ccc2cccc(C(N)=O)c21

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: -0.13 Num_rotatable_bonds: 5
MolWt: 418.42 Num_heavy_atoms: 28
TPSA: 173.87 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
AD27582
Formula: C10H10ON2

Smiles:
Cn1ccc2cccc(C(N)=O)c21
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 1
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 48.02 NumAromaticRings: 2

Sugarmoiety
SD00017

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