Glycoside
...
GD116471

Name:
Bengamide F

Formula:
C18H32O6N2

Smiles:
COC(C(O)=NC1CCCCN(C)C1=O)C(O)C(O)C(O)C=CC(C)C

Aglycone:
C=CC(C)C.CN1CCCCC(N)C1=O

Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 8 RingCount: 1
HBD: 4 FractionCSP3: 0.78
AlogP: 0.26 Num_rotatable_bonds: 8
MolWt: 372.46 Num_heavy_atoms: 26
TPSA: 122.82 NumAromaticRings: 0

Unique Aglycone
AD00557
Formula: C5H10

Smiles:
C=CC(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.6
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 70.13 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD03012
Formula: C7H14ON2

Smiles:
CN1CCCCC(N)C1=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: -0.04 Num_rotatable_bonds: 0
MolWt: 142.2 Num_heavy_atoms: 10
TPSA: 46.33 NumAromaticRings: 0

Sugarmoiety
SD00152

COC(C(=O)O)C(O)C(O)C(O)O