Glycoside
...
GD029195

Name:
None

Formula:
C24H29O10NS

Smiles:
COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CNC(=O)OCCS)[C@H](O)[C@H](O)[C@H]3O)c2)cc1O

Aglycone:
CNC(=O)OCCS.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.38
AlogP: 1.12 Num_rotatable_bonds: 9
MolWt: 523.56 Num_heavy_atoms: 36
TPSA: 167.17 NumAromaticRings: 2

Unique Aglycone
AD11932
Formula: C15H14O4

Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.98 Num_rotatable_bonds: 3
MolWt: 258.27 Num_heavy_atoms: 19
TPSA: 69.92 NumAromaticRings: 2
AD19022
Formula: C4H9O2NS

Smiles:
CNC(=O)OCCS
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.27 Num_rotatable_bonds: 2
MolWt: 135.19 Num_heavy_atoms: 8
TPSA: 38.33 NumAromaticRings: 0

Sugarmoiety
SD00017

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