Glycoside
...
GD087488

Name:
None

Formula:
C17H22O10N2S

Smiles:
CC(=O)n1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c2ccccc21

Aglycone:
CC(=O)n1cc(C(N)=O)c2ccccc21.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: -0.01 Num_rotatable_bonds: 5
MolWt: 446.43 Num_heavy_atoms: 30
TPSA: 190.94 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
AD38457
Formula: C11H10O2N2

Smiles:
CC(=O)n1cc(C(N)=O)c2ccccc21
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 202.21 Num_heavy_atoms: 15
TPSA: 65.09 NumAromaticRings: 2

Sugarmoiety
SD00017

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