Glycoside
...
GD095474

Name:
None

Formula:
C20H35O10N2S

Smiles:
COc1cccc(OC)c1CN1CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.COc1cccc(OC)c1CN1CCC([NH3+])CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.7
AlogP: -0.81 Num_rotatable_bonds: 9
MolWt: 495.57 Num_heavy_atoms: 33
TPSA: 178.15 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
AD37098
Formula: C14H23O2N2

Smiles:
COc1cccc(OC)c1CN1CCC([NH3+])CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.57
AlogP: 0.91 Num_rotatable_bonds: 4
MolWt: 251.35 Num_heavy_atoms: 18
TPSA: 49.34 NumAromaticRings: 1

Sugarmoiety
SD03900

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