Glycoside
...
GD079381

Name:
None

Formula:
C14H30O9N3S

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

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

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.93
AlogP: -3.71 Num_rotatable_bonds: 7
MolWt: 416.47 Num_heavy_atoms: 27
TPSA: 176.62 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
AD27349
Formula: C8H18ON3

Smiles:
C[NH+]1CCN(CCC(N)=O)CC1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.88
AlogP: -2.31 Num_rotatable_bonds: 3
MolWt: 172.25 Num_heavy_atoms: 12
TPSA: 50.77 NumAromaticRings: 0

Sugarmoiety
SD00017

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