Glycoside
...
GD104305

Name:
None

Formula:
C22H29O9NS

Smiles:
CC(=O)OC[C@H]1O[C@@H](Sc2ccc(N(C)C)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN(C)c1ccc(S)cc1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.55
AlogP: 1.93 Num_rotatable_bonds: 8
MolWt: 483.54 Num_heavy_atoms: 33
TPSA: 117.67 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD26833
Formula: C8H11NS

Smiles:
CN(C)c1ccc(S)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 2.04 Num_rotatable_bonds: 1
MolWt: 153.25 Num_heavy_atoms: 10
TPSA: 3.24 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O