Glycoside
...
GD096379

Name:
None

Formula:
C21H33O11N2

Smiles:
CCOC(=O)N1CC[C@@H]([NH2+][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:
CCOC(=O)N1CCC([NH3+])C1.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.76
AlogP: -1.14 Num_rotatable_bonds: 8
MolWt: 489.5 Num_heavy_atoms: 34
TPSA: 160.58 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
AD40990
Formula: C7H15O2N2

Smiles:
CCOC(=O)N1CCC([NH3+])C1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.86
AlogP: -0.54 Num_rotatable_bonds: 1
MolWt: 159.21 Num_heavy_atoms: 11
TPSA: 57.18 NumAromaticRings: 0

Sugarmoiety
SD04071

CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O