Glycoside
...
GD091997

Name:
None

Formula:
C18H28O9N3

Smiles:
C/C=C(N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)\[NH+]=C\N

Aglycone:
CC=C(N)[NH+]=CN.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 4 FractionCSP3: 0.61
AlogP: -2.41 Num_rotatable_bonds: 8
MolWt: 430.43 Num_heavy_atoms: 30
TPSA: 166.45 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
AD40154
Formula: C4H10N3

Smiles:
CC=C(N)[NH+]=CN
HBA: 3 RingCount: 0
HBD: 5 FractionCSP3: 0.25
AlogP: -2.13 Num_rotatable_bonds: 1
MolWt: 100.14 Num_heavy_atoms: 7
TPSA: 66.01 NumAromaticRings: 0

Sugarmoiety
SD00215

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