Glycoside
...
GD088649

Name:
None

Formula:
C16H29O8N4S

Smiles:
C[NH+]1CCN(c2cccc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)n2)CC1

Aglycone:
COS(O)(O)O.C[NH+]1CCN(c2cccc(N)n2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.69
AlogP: -2.21 Num_rotatable_bonds: 6
MolWt: 437.5 Num_heavy_atoms: 29
TPSA: 172.44 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
AD32019
Formula: C10H17N4

Smiles:
C[NH+]1CCN(c2cccc(N)n2)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: -1.0 Num_rotatable_bonds: 1
MolWt: 193.27 Num_heavy_atoms: 14
TPSA: 46.59 NumAromaticRings: 1

Sugarmoiety
SD00017

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