Glycoside
...
GD155494

Name:
Kipukasin F

Formula:
C21H24O10N2

Smiles:
COc1cc(O)cc(C)c1C(=O)OC1C(CO)OC(n2ccc(=O)n(C)c2=O)C1OC(C)=O

Aglycone:
COc1cc(O)cc(C)c1C(=O)O.Cn1c(=O)cc[nH]c1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.43
AlogP: -0.38 Num_rotatable_bonds: 6
MolWt: 464.43 Num_heavy_atoms: 33
TPSA: 155.52 NumAromaticRings: 2

Unique Aglycone
AD03792
Formula: C5H6O2N2

Smiles:
Cn1c(=O)cc[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
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

Sugarmoiety
SD00574

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