Glycoside
...
GD077397

Name:
None

Formula:
C15H18O8N2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]ccc(=S)[nH]1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 1 FractionCSP3: 0.53
AlogP: 0.23 Num_rotatable_bonds: 5
MolWt: 386.38 Num_heavy_atoms: 26
TPSA: 125.92 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
AD06106
Formula: C4H4ON2S

Smiles:
O=c1[nH]ccc(=S)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.43 Num_rotatable_bonds: 0
MolWt: 128.16 Num_heavy_atoms: 8
TPSA: 48.65 NumAromaticRings: 1

Sugarmoiety
SD00105

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