Glycoside
...
GD100808

Name:
None

Formula:
C21H27O10NS

Smiles:
O=C(CCc1ccc(Oc2ccccc2)cc1)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)CCc1ccc(Oc2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 1.49 Num_rotatable_bonds: 9
MolWt: 485.51 Num_heavy_atoms: 33
TPSA: 178.17 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
AD42584
Formula: C15H15O2N

Smiles:
NC(=O)CCc1ccc(Oc2ccccc2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 2.9 Num_rotatable_bonds: 5
MolWt: 241.29 Num_heavy_atoms: 18
TPSA: 52.32 NumAromaticRings: 2

Sugarmoiety
SD00017

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