Glycoside
...
GD111677

Name:
None

Formula:
C31H34O9N

Smiles:
CC(C)[NH2+]C[C@H](COCc1ccccc1)OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O

Aglycone:
CC(C)[NH2+]CCCOCc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OO

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 3 FractionCSP3: 0.29
AlogP: 2.62 Num_rotatable_bonds: 15
MolWt: 564.61 Num_heavy_atoms: 41
TPSA: 142.04 NumAromaticRings: 3

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD44729
Formula: C13H22ON

Smiles:
CC(C)[NH2+]CCCOCc1ccccc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.54
AlogP: 1.57 Num_rotatable_bonds: 7
MolWt: 208.33 Num_heavy_atoms: 15
TPSA: 25.84 NumAromaticRings: 1

Sugarmoiety
SD04256

O=C(O)C(OO)C(OO)C(=O)OO