Glycoside
...
GD086617

Name:
None

Formula:
C16H33O9N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+][C@H]2CC[C@@H](N3CCOCC3)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCC(N2CCOCC2)CC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 1.0
AlogP: -1.84 Num_rotatable_bonds: 6
MolWt: 429.51 Num_heavy_atoms: 28
TPSA: 168.92 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
AD27445
Formula: C10H21ON2

Smiles:
[NH3+]C1CCC(N2CCOCC2)CC1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: -0.13 Num_rotatable_bonds: 1
MolWt: 185.29 Num_heavy_atoms: 13
TPSA: 40.11 NumAromaticRings: 0

Sugarmoiety
SD03900

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