Glycoside
...
GD098438

Name:
None

Formula:
C18H28O8N2ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCN(c2ccc(Cl)cc2)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -0.16 Num_rotatable_bonds: 6
MolWt: 455.94 Num_heavy_atoms: 29
TPSA: 159.69 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
AD33051
Formula: C12H16N2Cl

Smiles:
[NH3+]C1CCN(c2ccc(Cl)cc2)CC1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 1.55 Num_rotatable_bonds: 1
MolWt: 211.72 Num_heavy_atoms: 14
TPSA: 30.88 NumAromaticRings: 1

Sugarmoiety
SD03900

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