Glycoside
...
GD063540

Name:
None

Formula:
C12H26O8N2S

Smiles:
CN1CCC[C@@H](N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
CN1CCCC(N)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 1.0
AlogP: -1.37 Num_rotatable_bonds: 5
MolWt: 358.41 Num_heavy_atoms: 23
TPSA: 155.11 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
AD30594
Formula: C6H14N2

Smiles:
CN1CCCC(N)C1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.04 Num_rotatable_bonds: 0
MolWt: 114.19 Num_heavy_atoms: 8
TPSA: 29.26 NumAromaticRings: 0

Sugarmoiety
SD00017

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