Glycoside
...
GD096323

Name:
None

Formula:
C21H33O10N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCCN(C(C)=O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)N1CCCC([NH3+])C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.76
AlogP: -1.36 Num_rotatable_bonds: 7
MolWt: 473.5 Num_heavy_atoms: 33
TPSA: 151.35 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
AD26686
Formula: C7H15ON2

Smiles:
CC(=O)N1CCCC([NH3+])C1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.86
AlogP: -0.76 Num_rotatable_bonds: 0
MolWt: 143.21 Num_heavy_atoms: 10
TPSA: 47.95 NumAromaticRings: 0

Sugarmoiety
SD04070

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]