Glycoside
...
GD030900

Name:
None

Formula:
C19H24O9N2S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(N)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccc(S)nc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.53
AlogP: 0.84 Num_rotatable_bonds: 7
MolWt: 456.47 Num_heavy_atoms: 31
TPSA: 153.34 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
AD19972
Formula: C5H6N2S

Smiles:
Nc1ccc(S)nc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.95 Num_rotatable_bonds: 0
MolWt: 126.18 Num_heavy_atoms: 8
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00012

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