Glycoside
...
GD002638

Name:
KIPUKASIN A

Formula:
C22H26O10N2

Smiles:
COc1cc(C)c(C(=O)O[C@H]2[C@H](CO)O[C@@H](Cn3ccc(=O)[nH]c3=O)[C@H]2OC(C)=O)c(OC)c1

Aglycone:
COc1cc(C)c(C(=O)O)c(OC)c1.Cn1ccc(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: -0.22 Num_rotatable_bonds: 8
MolWt: 478.45 Num_heavy_atoms: 34
TPSA: 155.38 NumAromaticRings: 2

Unique Aglycone
AD00607
Formula: C5H6O2N2

Smiles:
Cn1ccc(=O)[nH]c1=O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.2
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 126.11 Num_heavy_atoms: 9
TPSA: 54.86 NumAromaticRings: 1
AD02489
Formula: C10H12O4

Smiles:
COc1cc(C)c(C(=O)O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.71 Num_rotatable_bonds: 3
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 1

Sugarmoiety
SD00574

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