Glycoside
...
GD081084

Name:
None

Formula:
C15H27O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+]C2CCN(c3ncccn3)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCN(c2ncccn2)CC1

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.73
AlogP: -2.03 Num_rotatable_bonds: 6
MolWt: 423.47 Num_heavy_atoms: 28
TPSA: 185.47 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
AD29081
Formula: C9H15N4

Smiles:
[NH3+]C1CCN(c2ncccn2)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.56
AlogP: -0.31 Num_rotatable_bonds: 1
MolWt: 179.25 Num_heavy_atoms: 13
TPSA: 56.66 NumAromaticRings: 1

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O