Glycoside
...
GD079500

Name:
None

Formula:
C17H34O8N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H](C2)[N@@H+]3CC2CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CC2CCC(C1)[NH+]2CC1CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 9 FractionCSP3: 1.0
AlogP: -2.5 Num_rotatable_bonds: 7
MolWt: 426.53 Num_heavy_atoms: 28
TPSA: 160.89 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
AD27451
Formula: C11H22N2

Smiles:
[NH3+]C1CC2CCC(C1)[NH+]2CC1CC1
HBA: 2 RingCount: 3
HBD: 4 FractionCSP3: 1.0
AlogP: -0.78 Num_rotatable_bonds: 2
MolWt: 182.31 Num_heavy_atoms: 13
TPSA: 32.08 NumAromaticRings: 0

Sugarmoiety
SD03900

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