Glycoside
...
GD086608

Name:
None

Formula:
C17H30O9N3S

Smiles:
C[NH+]1CCC(Oc2ccnc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2)CC1

Aglycone:
COS(O)(O)O.C[NH+]1CCC(Oc2ccnc(N)c2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.71
AlogP: -1.49 Num_rotatable_bonds: 7
MolWt: 452.51 Num_heavy_atoms: 30
TPSA: 178.43 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
AD38326
Formula: C11H18ON3

Smiles:
C[NH+]1CCC(Oc2ccnc(N)c2)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.55
AlogP: -0.28 Num_rotatable_bonds: 2
MolWt: 208.28 Num_heavy_atoms: 15
TPSA: 52.58 NumAromaticRings: 1

Sugarmoiety
SD00017

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