Glycoside
...
GD001337

Name:
None

Formula:
C20H34O10N4

Smiles:
CC(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](NC(C)=O)C[C@@H](NC(C)=O)[C@@H](O)[C@H]2O)[C@H](NC(C)=O)[C@H](O)[C@H]1O

Aglycone:
CC(=O)NC1CC(NC(C)=O)C(O)C(O)C1O.CNC(C)=O

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 8 FractionCSP3: 0.8
AlogP: -4.41 Num_rotatable_bonds: 7
MolWt: 490.51 Num_heavy_atoms: 34
TPSA: 215.78 NumAromaticRings: 0

Unique Aglycone
AD01019
Formula: C3H7ON

Smiles:
CNC(C)=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 0
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0
AD01364
Formula: C10H18O5N2

Smiles:
CC(=O)NC1CC(NC(C)=O)C(O)C(O)C1O
HBA: 7 RingCount: 1
HBD: 5 FractionCSP3: 0.8
AlogP: -2.52 Num_rotatable_bonds: 2
MolWt: 246.26 Num_heavy_atoms: 17
TPSA: 118.89 NumAromaticRings: 0

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O