Glycoside
...
GD026138

Name:
KIPUKASIN F

Formula:
C22H26O10N2

Smiles:
COc1cc(O)cc(C)c1C(=O)O[C@H]1[C@H](CO)O[C@@H](Cn2ccc(=O)n(C)c2=O)[C@H]1OC(C)=O

Aglycone:
COc1cc(O)cc(C)c1C(=O)O.Cn1ccc(=O)n(C)c1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: -0.51 Num_rotatable_bonds: 7
MolWt: 478.45 Num_heavy_atoms: 34
TPSA: 155.52 NumAromaticRings: 2

Unique Aglycone
AD08265
Formula: C9H10O4

Smiles:
COc1cc(O)cc(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 66.76 NumAromaticRings: 1
AD08266
Formula: C6H8O2N2

Smiles:
Cn1ccc(=O)n(C)c1=O
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.33
AlogP: -0.92 Num_rotatable_bonds: 0
MolWt: 140.14 Num_heavy_atoms: 10
TPSA: 44.0 NumAromaticRings: 1

Sugarmoiety
SD00574

CC(=O)OC1C(O)OC(CO)C1O