Glycoside
...
GD104366

Name:
None

Formula:
C21H31O11N

Smiles:
CC(=O)OC[C@@H]1O[C@@H](NC(=O)OC2CCCCC2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)OC1CCCCC1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.76
AlogP: 1.13 Num_rotatable_bonds: 7
MolWt: 473.48 Num_heavy_atoms: 33
TPSA: 152.76 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
AD25590
Formula: C7H13O2N

Smiles:
NC(=O)OC1CCCCC1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 1.41 Num_rotatable_bonds: 1
MolWt: 143.19 Num_heavy_atoms: 10
TPSA: 52.32 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O