Glycoside
...
GD096907

Name:
None

Formula:
C20H27O9NS

Smiles:
Cc1ccc(CCC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c2ccccc12

Aglycone:
COS(O)(O)O.Cc1ccc(CCC(N)=O)c2ccccc12

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.45
AlogP: 1.16 Num_rotatable_bonds: 7
MolWt: 457.5 Num_heavy_atoms: 31
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
AD41192
Formula: C14H15ON

Smiles:
Cc1ccc(CCC(N)=O)c2ccccc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.21
AlogP: 2.57 Num_rotatable_bonds: 3
MolWt: 213.28 Num_heavy_atoms: 16
TPSA: 43.09 NumAromaticRings: 2

Sugarmoiety
SD00017

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