Glycoside
...
GD067789

Name:
None

Formula:
C17H28O8N

Smiles:
CC(=O)OC[C@H]1O[C@@H]([NH+]2CCCCC2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
C1CC[NH2+]CC1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC([OH+])C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 2 FractionCSP3: 0.82
AlogP: -1.43 Num_rotatable_bonds: 5
MolWt: 374.41 Num_heavy_atoms: 26
TPSA: 112.8 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD32234
Formula: C5H12N

Smiles:
C1CC[NH2+]CC1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 0
MolWt: 86.16 Num_heavy_atoms: 6
TPSA: 16.61 NumAromaticRings: 0

Sugarmoiety
SD03969

CC(=O)OC1C(O)OC([OH+])C(O)C1OC(C)=O