Glycoside
...
GD002513

Name:
None

Formula:
C16H30O8N3Cl

Smiles:
CCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CCl

Aglycone:
CCC(N)=O.NCC(O)C(O)C(N)C(O)CO

Sugarmoiety:
OC1OC(CCl)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 10 FractionCSP3: 0.93
AlogP: -4.05 Num_rotatable_bonds: 10
MolWt: 415.87 Num_heavy_atoms: 27
TPSA: 200.75 NumAromaticRings: 0

Unique Aglycone
AD01485
Formula: C3H7ON

Smiles:
CCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.12 Num_rotatable_bonds: 1
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 43.09 NumAromaticRings: 0
AD02390
Formula: C6H16O4N2

Smiles:
NCC(O)C(O)C(N)C(O)CO
HBA: 6 RingCount: 0
HBD: 8 FractionCSP3: 1.0
AlogP: -3.65 Num_rotatable_bonds: 5
MolWt: 180.2 Num_heavy_atoms: 12
TPSA: 132.96 NumAromaticRings: 0

Sugarmoiety
SD00578

OC1OC(CCl)C(O)C(O)C1O