Glycoside
...
GD081978

Name:
None

Formula:
C16H35O8N2S

Smiles:
C[NH+]1C(C)(C)CC(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1(C)C

Aglycone:
COS(O)(O)O.C[NH+]1C(C)(C)CC(N)CC1(C)C

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -1.23 Num_rotatable_bonds: 5
MolWt: 415.53 Num_heavy_atoms: 27
TPSA: 156.31 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
AD29016
Formula: C10H23N2

Smiles:
C[NH+]1C(C)(C)CC(N)CC1(C)C
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 171.31 Num_heavy_atoms: 12
TPSA: 30.46 NumAromaticRings: 0

Sugarmoiety
SD00017

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