Glycoside
...
GD095416

Name:
None

Formula:
C20H30O11N2

Smiles:
COC(=O)[C@@H]1C[C@@H](N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CN1

Aglycone:
COC(=O)C1CC(N)CN1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.75
AlogP: -1.44 Num_rotatable_bonds: 8
MolWt: 474.46 Num_heavy_atoms: 33
TPSA: 164.79 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
AD40732
Formula: C6H12O2N2

Smiles:
COC(=O)C1CC(N)CN1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.83
AlogP: -1.15 Num_rotatable_bonds: 1
MolWt: 144.17 Num_heavy_atoms: 10
TPSA: 64.35 NumAromaticRings: 0

Sugarmoiety
SD00215

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