Glycoside
...
GD089341

Name:
None

Formula:
C20H32O9N2

Smiles:
CCN1CC[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)C1

Aglycone:
CCN1CCC(N)C1.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.8
AlogP: -0.25 Num_rotatable_bonds: 8
MolWt: 444.48 Num_heavy_atoms: 31
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
AD38968
Formula: C6H14N2

Smiles:
CCN1CCC(N)C1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.04 Num_rotatable_bonds: 1
MolWt: 114.19 Num_heavy_atoms: 8
TPSA: 29.26 NumAromaticRings: 0

Sugarmoiety
SD00215

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