Glycoside
...
GD021779

Name:
None

Formula:
C20H33O9N

Smiles:
CCCC(=O)OC[C@@H]1OC(O)[C@H](NC(C)=O)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)OC1O

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 2 FractionCSP3: 0.8
AlogP: 0.98 Num_rotatable_bonds: 11
MolWt: 431.48 Num_heavy_atoms: 30
TPSA: 137.46 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01168
Formula: C5H10O2

Smiles:
CCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD02424

CC(=O)NC1C(O)OC(CO)OC1O