Glycoside
...
GD080751

Name:
None

Formula:
C15H24O10N2S

Smiles:
CC(C)n1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1=O

Aglycone:
CC(C)n1ccc(C(N)=O)cc1=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: -0.88 Num_rotatable_bonds: 6
MolWt: 424.43 Num_heavy_atoms: 28
TPSA: 190.94 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD27606
Formula: C9H12O2N2

Smiles:
CC(C)n1ccc(C(N)=O)cc1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 0.53 Num_rotatable_bonds: 2
MolWt: 180.21 Num_heavy_atoms: 13
TPSA: 65.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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