Glycoside
...
GD095716

Name:
None

Formula:
C16H29O11N3S

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

Aglycone:
CC(C)(C)OC(=O)N(CCC#N)CC(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 1
HBD: 7 FractionCSP3: 0.81
AlogP: -0.78 Num_rotatable_bonds: 8
MolWt: 471.49 Num_heavy_atoms: 31
TPSA: 222.27 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
AD35261
Formula: C10H17O3N3

Smiles:
CC(C)(C)OC(=O)N(CCC#N)CC(N)=O
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.7
AlogP: 0.62 Num_rotatable_bonds: 4
MolWt: 227.26 Num_heavy_atoms: 16
TPSA: 96.42 NumAromaticRings: 0

Sugarmoiety
SD00017

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