Glycoside
...
GD016699

Name:
None

Formula:
C32H45O19N

Smiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CCO[C@H](CO[C@H](Cc4ccccc4)C(=O)[O-])[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.O=C([O-])C(Cc1ccccc1)OCC1OCCC(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 9 FractionCSP3: 0.72
AlogP: -7.46 Num_rotatable_bonds: 16
MolWt: 747.7 Num_heavy_atoms: 52
TPSA: 326.58 NumAromaticRings: 1

Unique Aglycone
AD00303
Formula: C11H18O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -5.21 Num_rotatable_bonds: 5
MolWt: 308.26 Num_heavy_atoms: 21
TPSA: 179.61 NumAromaticRings: 0
AD11987
Formula: C15H19O6

Smiles:
O=C([O-])C(Cc1ccccc1)OCC1OCCC(O)C1O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.53
AlogP: -1.13 Num_rotatable_bonds: 6
MolWt: 295.31 Num_heavy_atoms: 21
TPSA: 99.05 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O