Glycoside
...
GD113209

Name:
None

Formula:
C36H36O9N

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

Aglycone:
CC([NH2+]CCCOCc1ccccc1)c1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.22
AlogP: 3.98 Num_rotatable_bonds: 16
MolWt: 626.68 Num_heavy_atoms: 46
TPSA: 142.04 NumAromaticRings: 4

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
AD44802
Formula: C18H24ON

Smiles:
CC([NH2+]CCCOCc1ccccc1)c1ccccc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 2.92 Num_rotatable_bonds: 8
MolWt: 270.4 Num_heavy_atoms: 20
TPSA: 25.84 NumAromaticRings: 2

Sugarmoiety
SD04256

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