Glycoside
...
GD096209

Name:
None

Formula:
C21H32O10N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CCN(C(C)=O)CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)N1CCC(N)CC1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.76
AlogP: -0.33 Num_rotatable_bonds: 7
MolWt: 472.49 Num_heavy_atoms: 33
TPSA: 146.77 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
AD26666
Formula: C7H14ON2

Smiles:
CC(=O)N1CCC(N)CC1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: -0.04 Num_rotatable_bonds: 0
MolWt: 142.2 Num_heavy_atoms: 10
TPSA: 46.33 NumAromaticRings: 0

Sugarmoiety
SD00889

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