Glycoside
...
GD104389

Name:
None

Formula:
C21H24O9N2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Sc2nc3ccccc3[nH]2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1nc2ccccc2[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 1.74 Num_rotatable_bonds: 7
MolWt: 480.5 Num_heavy_atoms: 33
TPSA: 143.11 NumAromaticRings: 2

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
AD15335
Formula: C7H6N2S

Smiles:
Sc1nc2ccccc2[nH]1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.85 Num_rotatable_bonds: 0
MolWt: 150.21 Num_heavy_atoms: 10
TPSA: 28.68 NumAromaticRings: 2

Sugarmoiety
SD00012

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