Glycoside
...
GD096861

Name:
None

Formula:
C20H23O10NS

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(C(=O)c2ccccc2)cc1

Aglycone:
COS(O)(O)O.NC(=O)c1ccc(C(=O)c2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.3
AlogP: 0.61 Num_rotatable_bonds: 7
MolWt: 469.47 Num_heavy_atoms: 32
TPSA: 186.01 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
AD41176
Formula: C14H11O2N

Smiles:
NC(=O)c1ccc(C(=O)c2ccccc2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.02 Num_rotatable_bonds: 3
MolWt: 225.25 Num_heavy_atoms: 17
TPSA: 60.16 NumAromaticRings: 2

Sugarmoiety
SD00017

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