Glycoside
...
GD094330

Name:
None

Formula:
C17H31O11NS

Smiles:
CC(C)(C)OC(=O)C[C@H]1C[C@@H](C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
CC(C)(C)OC(=O)CC1CC(C(N)=O)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.88
AlogP: -0.18 Num_rotatable_bonds: 7
MolWt: 457.5 Num_heavy_atoms: 30
TPSA: 195.24 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
AD34596
Formula: C11H19O3N

Smiles:
CC(C)(C)OC(=O)CC1CC(C(N)=O)C1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.82
AlogP: 1.23 Num_rotatable_bonds: 3
MolWt: 213.28 Num_heavy_atoms: 15
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00017

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