Glycoside
...
GD098162

Name:
None

Formula:
C22H28O9N2S

Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCC(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O

Aglycone:
O=C(CCC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1)NCCO

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: -0.35 Num_rotatable_bonds: 10
MolWt: 496.54 Num_heavy_atoms: 34
TPSA: 164.39 NumAromaticRings: 2

Unique Aglycone
AD41762
Formula: C16H18O5N2S

Smiles:
O=C(CCC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1)NCCO
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 0.8 Num_rotatable_bonds: 8
MolWt: 350.4 Num_heavy_atoms: 24
TPSA: 105.47 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O