Glycoside
...
GD088708

Name:
None

Formula:
C15H31O10N2S

Smiles:
CCOC(=O)CN1CCC([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
CCOC(=O)CN1CCC([NH3+])CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.93
AlogP: -2.46 Num_rotatable_bonds: 8
MolWt: 431.48 Num_heavy_atoms: 28
TPSA: 185.99 NumAromaticRings: 0

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
AD29076
Formula: C9H19O2N2

Smiles:
CCOC(=O)CN1CCC([NH3+])CC1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.89
AlogP: -0.74 Num_rotatable_bonds: 3
MolWt: 187.26 Num_heavy_atoms: 13
TPSA: 57.18 NumAromaticRings: 0

Sugarmoiety
SD03900

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