Glycoside
...
GD029875

Name:
None

Formula:
C22H25O9N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(-c3ccccc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C1=C(c2ccccc2)N=N[N]1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 1.2 Num_rotatable_bonds: 7
MolWt: 475.45 Num_heavy_atoms: 34
TPSA: 145.14 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD04561
Formula: C8H6N3

Smiles:
C1=C(c2ccccc2)N=N[N]1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.97 Num_rotatable_bonds: 1
MolWt: 144.16 Num_heavy_atoms: 11
TPSA: 38.82 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O