Glycoside
...
GD094198

Name:
None

Formula:
C17H28O11N2S2

Smiles:
CC(C)N(CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)S(=O)(=O)c1ccccc1

Aglycone:
CC(C)N(CC(N)=O)S(=O)(=O)c1ccccc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.59
AlogP: -0.84 Num_rotatable_bonds: 9
MolWt: 500.55 Num_heavy_atoms: 32
TPSA: 206.32 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
AD36883
Formula: C11H16O3N2S

Smiles:
CC(C)N(CC(N)=O)S(=O)(=O)c1ccccc1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.36
AlogP: 0.57 Num_rotatable_bonds: 5
MolWt: 256.33 Num_heavy_atoms: 17
TPSA: 80.47 NumAromaticRings: 1

Sugarmoiety
SD00017

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