Glycoside
...
GD094186

Name:
None

Formula:
C20H31O11NS

Smiles:
COc1ccccc1CC1(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCOCC1

Aglycone:
COS(O)(O)O.COc1ccccc1CC1(C(N)=O)CCOCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.65
AlogP: 0.11 Num_rotatable_bonds: 8
MolWt: 493.53 Num_heavy_atoms: 33
TPSA: 187.4 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
AD36881
Formula: C14H19O3N

Smiles:
COc1ccccc1CC1(C(N)=O)CCOCC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.52 Num_rotatable_bonds: 4
MolWt: 249.31 Num_heavy_atoms: 18
TPSA: 61.55 NumAromaticRings: 1

Sugarmoiety
SD00017

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