Glycoside
...
GD112346

Name:
None

Formula:
C35H34O9N

Smiles:
O=C(O[C@H](C(=O)O[C@@H](C[NH2+]Cc1ccccc1)COCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

Aglycone:
O=Cc1ccccc1.O=Cc1ccccc1.c1ccc(C[NH2+]CCCOCc2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.2
AlogP: 3.41 Num_rotatable_bonds: 16
MolWt: 612.66 Num_heavy_atoms: 45
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
AD44761
Formula: C17H22ON

Smiles:
c1ccc(C[NH2+]CCCOCc2ccccc2)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 2.36 Num_rotatable_bonds: 8
MolWt: 256.37 Num_heavy_atoms: 19
TPSA: 25.84 NumAromaticRings: 2

Sugarmoiety
SD04256

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