Glycoside
...
GD080906

Name:
None

Formula:
C16H28O8N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2ncccc2C[NH+]2CCCC2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncccc1C[NH+]1CCCC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.69
AlogP: -1.36 Num_rotatable_bonds: 7
MolWt: 422.48 Num_heavy_atoms: 28
TPSA: 169.2 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
AD29002
Formula: C10H16N3

Smiles:
Nc1ncccc1C[NH+]1CCCC1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: -0.16 Num_rotatable_bonds: 2
MolWt: 178.26 Num_heavy_atoms: 13
TPSA: 43.35 NumAromaticRings: 1

Sugarmoiety
SD00017

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