Glycoside
...
GD094014

Name:
None

Formula:
C17H31O12N3S

Smiles:
CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C(=O)C1

Aglycone:
CC(C)(C)OC(=O)N1CCN(CC(N)=O)C(=O)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 7 FractionCSP3: 0.82
AlogP: -1.86 Num_rotatable_bonds: 6
MolWt: 501.51 Num_heavy_atoms: 33
TPSA: 218.79 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
AD36832
Formula: C11H19O4N3

Smiles:
CC(C)(C)OC(=O)N1CCN(CC(N)=O)C(=O)C1
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.73
AlogP: -0.45 Num_rotatable_bonds: 2
MolWt: 257.29 Num_heavy_atoms: 18
TPSA: 92.94 NumAromaticRings: 0

Sugarmoiety
SD00017

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