Glycoside
...
GD074073

Name:
None

Formula:
C15H33O8N2S

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

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

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -1.62 Num_rotatable_bonds: 5
MolWt: 401.5 Num_heavy_atoms: 26
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
AD26580
Formula: C9H21N2

Smiles:
CC(C)(C)[NH+]1CCC(N)CC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.21 Num_rotatable_bonds: 0
MolWt: 157.28 Num_heavy_atoms: 11
TPSA: 30.46 NumAromaticRings: 0

Sugarmoiety
SD00017

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