Glycoside
...
GD085155

Name:
None

Formula:
C17H25O9NS

Smiles:
C=C(C)Cc1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1

Aglycone:
C=C(C)Cc1ccc(C(N)=O)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.47
AlogP: 0.5 Num_rotatable_bonds: 7
MolWt: 419.45 Num_heavy_atoms: 28
TPSA: 168.94 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
AD30214
Formula: C11H13ON

Smiles:
C=C(C)Cc1ccc(C(N)=O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.9 Num_rotatable_bonds: 3
MolWt: 175.23 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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