Glycoside
...
GD009558

Name:
None

Formula:
C32H47O19N2

Smiles:
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 11 FractionCSP3: 0.72
AlogP: -7.19 Num_rotatable_bonds: 15
MolWt: 763.72 Num_heavy_atoms: 53
TPSA: 335.78 NumAromaticRings: 1

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
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

Sugarmoiety
SD00222

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O