Glycoside
...
GD099044

Name:
None

Formula:
C21H37O10N2

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

Aglycone:
CC[NH+](CC)CC(O)CN.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 3 FractionCSP3: 0.81
AlogP: -2.06 Num_rotatable_bonds: 12
MolWt: 477.53 Num_heavy_atoms: 33
TPSA: 151.13 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
AD42162
Formula: C7H19ON2

Smiles:
CC[NH+](CC)CC(O)CN
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -1.77 Num_rotatable_bonds: 5
MolWt: 147.24 Num_heavy_atoms: 10
TPSA: 50.69 NumAromaticRings: 0

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O