Glycoside
...
GD089407

Name:
None

Formula:
C19H30O9N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CCN(C)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN1CCC(N)C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.79
AlogP: -0.64 Num_rotatable_bonds: 7
MolWt: 430.45 Num_heavy_atoms: 30
TPSA: 129.7 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
AD39003
Formula: C5H12N2

Smiles:
CN1CCC(N)C1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.35 Num_rotatable_bonds: 0
MolWt: 100.17 Num_heavy_atoms: 7
TPSA: 29.26 NumAromaticRings: 0

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O