Glycoside
...
GD112287

Name:
None

Formula:
C32H36O9N

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

Aglycone:
CC(C)(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: 0.31
AlogP: 3.01 Num_rotatable_bonds: 14
MolWt: 578.64 Num_heavy_atoms: 42
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
AD44760
Formula: C14H24ON

Smiles:
CC(C)(C)[NH2+]CCCOCc1ccccc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.57
AlogP: 1.96 Num_rotatable_bonds: 6
MolWt: 222.35 Num_heavy_atoms: 16
TPSA: 25.84 NumAromaticRings: 1

Sugarmoiety
SD04256

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