Glycoside
...
GD091661

Name:
None

Formula:
C19H22O6N6

Smiles:
COc1ccc(-c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](O)[C@@H]3O)nn2)c(C)c1

Aglycone:
COc1ccc(C2=C[N]N=N2)c(C)c1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OCC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.37
AlogP: -1.0 Num_rotatable_bonds: 5
MolWt: 430.42 Num_heavy_atoms: 31
TPSA: 170.77 NumAromaticRings: 3

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD32453
Formula: C10H10ON3

Smiles:
COc1ccc(C2=C[N]N=N2)c(C)c1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 2.29 Num_rotatable_bonds: 2
MolWt: 188.21 Num_heavy_atoms: 14
TPSA: 48.05 NumAromaticRings: 1

Sugarmoiety
SD01068

OCC1(O)OC(O)C(O)C1O