Glycoside
...
GD004422

Name:
None

Formula:
C26H43O19N

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](C)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.CC(OCC1OCCC(O)C1O)C(=O)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 11 FractionCSP3: 0.88
AlogP: -6.02 Num_rotatable_bonds: 14
MolWt: 673.62 Num_heavy_atoms: 46
TPSA: 320.92 NumAromaticRings: 0

Unique Aglycone
AD00077
Formula: C11H19O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.87 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 176.78 NumAromaticRings: 0
AD03865
Formula: C9H16O6

Smiles:
CC(OCC1OCCC(O)C1O)C(=O)O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.89
AlogP: -1.01 Num_rotatable_bonds: 4
MolWt: 220.22 Num_heavy_atoms: 15
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00003

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