Glycoside
...
GD006925

Name:
None

Formula:
C36H48O17N

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](COCc4ccc(-c5ccccc5)cc4)[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.OC1CCOC(COCc2ccc(-c3ccccc3)cc2)C1O

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 9 FractionCSP3: 0.61
AlogP: -3.96 Num_rotatable_bonds: 15
MolWt: 766.77 Num_heavy_atoms: 54
TPSA: 286.45 NumAromaticRings: 2

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
AD05679
Formula: C19H22O4

Smiles:
OC1CCOC(COCc2ccc(-c3ccccc3)cc2)C1O
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.37
AlogP: 2.38 Num_rotatable_bonds: 5
MolWt: 314.38 Num_heavy_atoms: 23
TPSA: 58.92 NumAromaticRings: 2

Sugarmoiety
SD00003

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