Glycoside
...
GD124980

Name:
Kipukasin C

Formula:
C20H22O10N2

Smiles:
COc1cc(C)c(C(=O)OC2C(CO)OC(n3ccc(O)nc3=O)C2OC(C)=O)c(O)c1

Aglycone:
COc1cc(C)c(C(=O)O)c(O)c1.O=c1nc(O)cc[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 0.02 Num_rotatable_bonds: 6
MolWt: 450.4 Num_heavy_atoms: 32
TPSA: 166.64 NumAromaticRings: 2

Unique Aglycone
AD13970
Formula: C9H10O4

Smiles:
COc1cc(C)c(C(=O)O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 182.18 Num_heavy_atoms: 13
TPSA: 66.76 NumAromaticRings: 1
AD15478
Formula: C4H4O2N2

Smiles:
O=c1nc(O)cc[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.52 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.98 NumAromaticRings: 1

Sugarmoiety
SD00574

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