Glycoside
...
GD080901

Name:
None

Formula:
C15H26O8N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2cc(N3CCCC3)cc[nH+]2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cc(N2CCCC2)cc[nH+]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -0.52 Num_rotatable_bonds: 6
MolWt: 408.45 Num_heavy_atoms: 27
TPSA: 169.25 NumAromaticRings: 1

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
AD29000
Formula: C9H14N3

Smiles:
Nc1cc(N2CCCC2)cc[nH+]1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.44
AlogP: 0.68 Num_rotatable_bonds: 1
MolWt: 164.23 Num_heavy_atoms: 12
TPSA: 43.4 NumAromaticRings: 1

Sugarmoiety
SD00017

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