Glycoside
...
GD086958

Name:
None

Formula:
C17H23O11NS

Smiles:
COc1ccc2c(c1)OCC(C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)=C2

Aglycone:
COS(O)(O)O.COc1ccc2c(c1)OCC(C(N)=O)=C2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: -0.45 Num_rotatable_bonds: 6
MolWt: 449.43 Num_heavy_atoms: 30
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
AD38377
Formula: C11H11O3N

Smiles:
COc1ccc2c(c1)OCC(C(N)=O)=C2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 205.21 Num_heavy_atoms: 15
TPSA: 61.55 NumAromaticRings: 1

Sugarmoiety
SD00017

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