Glycoside
...
GD093890

Name:
None

Formula:
C21H33O11N2

Smiles:
COC(=O)[C@@H]1C[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)CCN1

Aglycone:
COC(=O)C1CC([NH3+])CCN1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.76
AlogP: -2.07 Num_rotatable_bonds: 8
MolWt: 489.5 Num_heavy_atoms: 34
TPSA: 169.37 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
AD40479
Formula: C7H15O2N2

Smiles:
COC(=O)C1CC([NH3+])CCN1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.86
AlogP: -1.48 Num_rotatable_bonds: 1
MolWt: 159.21 Num_heavy_atoms: 11
TPSA: 65.97 NumAromaticRings: 0

Sugarmoiety
SD04071

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