Glycoside
...
GD101087

Name:
None

Formula:
C20H40O8NS

Smiles:
CC[C@H]1CC[C@H]([C@H]2CC[C@@H]([NH2+][C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)CC1

Aglycone:
CCC1CCC(C2CCC([NH3+])CC2)CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 8 FractionCSP3: 1.0
AlogP: 1.29 Num_rotatable_bonds: 7
MolWt: 454.61 Num_heavy_atoms: 30
TPSA: 156.45 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
AD33514
Formula: C14H28N

Smiles:
CCC1CCC(C2CCC([NH3+])CC2)CC1
HBA: 1 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: 3.0 Num_rotatable_bonds: 2
MolWt: 210.38 Num_heavy_atoms: 15
TPSA: 27.64 NumAromaticRings: 0

Sugarmoiety
SD03900

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