Glycoside
...
GD100790

Name:
None

Formula:
C22H29O9NS

Smiles:
CCCc1ccc(-c2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)cc1

Aglycone:
CCCc1ccc(-c2ccc(C(N)=O)cc2)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: 2.0 Num_rotatable_bonds: 8
MolWt: 483.54 Num_heavy_atoms: 33
TPSA: 168.94 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
AD42574
Formula: C16H17ON

Smiles:
CCCc1ccc(-c2ccc(C(N)=O)cc2)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.19
AlogP: 3.41 Num_rotatable_bonds: 4
MolWt: 239.32 Num_heavy_atoms: 18
TPSA: 43.09 NumAromaticRings: 2

Sugarmoiety
SD00017

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