Glycoside
...
GD093941

Name:
None

Formula:
C16H32O11N2S

Smiles:
CN(CCCC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C(=O)OC(C)(C)C

Aglycone:
CN(CCCC(N)=O)C(=O)OC(C)(C)C.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 7 FractionCSP3: 0.88
AlogP: -0.29 Num_rotatable_bonds: 8
MolWt: 460.5 Num_heavy_atoms: 30
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
AD34075
Formula: C10H20O3N2

Smiles:
CN(CCCC(N)=O)C(=O)OC(C)(C)C
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 4
MolWt: 216.28 Num_heavy_atoms: 15
TPSA: 72.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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