Glycoside
...
GD092143

Name:
None

Formula:
C20H33O9N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CC[NH+](C)CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.C[NH+]1CCC(N)CC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.8
AlogP: -1.66 Num_rotatable_bonds: 7
MolWt: 445.49 Num_heavy_atoms: 31
TPSA: 130.9 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
AD25250
Formula: C6H15N2

Smiles:
C[NH+]1CCC(N)CC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -1.38 Num_rotatable_bonds: 0
MolWt: 115.2 Num_heavy_atoms: 8
TPSA: 30.46 NumAromaticRings: 0

Sugarmoiety
SD00889

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