Glycoside
...
GD101538

Name:
None

Formula:
C23H36O10N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CC3CCCCC3N(O)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CC2CCCCC2N(O)C1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.83
AlogP: 0.68 Num_rotatable_bonds: 7
MolWt: 500.55 Num_heavy_atoms: 35
TPSA: 149.93 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
AD25771
Formula: C9H18ON2

Smiles:
NC1CC2CCCCC2N(O)C1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: 0.97 Num_rotatable_bonds: 0
MolWt: 170.26 Num_heavy_atoms: 12
TPSA: 49.49 NumAromaticRings: 0

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O