Glycoside
...
GD095465

Name:
None

Formula:
C18H35O10N2S

Smiles:
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)C[C@H]2C1

Aglycone:
CC(C)(C)OC(=O)N1CC2CC([NH3+])CC2C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.94
AlogP: -0.84 Num_rotatable_bonds: 5
MolWt: 471.55 Num_heavy_atoms: 31
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
AD40742
Formula: C12H23O2N2

Smiles:
CC(C)(C)OC(=O)N1CC2CC([NH3+])CC2C1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.92
AlogP: 0.87 Num_rotatable_bonds: 0
MolWt: 227.33 Num_heavy_atoms: 16
TPSA: 57.18 NumAromaticRings: 0

Sugarmoiety
SD03900

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