Glycoside
...
GD094065

Name:
None

Formula:
C17H30O11N2S

Smiles:
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)[C@@H]2C1

Aglycone:
CC(C)(C)OC(=O)N1CC2C(C1)C2C(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.88
AlogP: -0.82 Num_rotatable_bonds: 5
MolWt: 470.5 Num_heavy_atoms: 31
TPSA: 198.48 NumAromaticRings: 0

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
AD34498
Formula: C11H18O3N2

Smiles:
CC(C)(C)OC(=O)N1CC2C(C1)C2C(N)=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.82
AlogP: 0.58 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 16
TPSA: 72.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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