Glycoside
...
GD113923

Name:
None

Formula:
C36H31O13N3

Smiles:
COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O

Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.Nc1ccc(N=Nc2ccccc2)cc1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 2 FractionCSP3: 0.17
AlogP: 5.44 Num_rotatable_bonds: 14
MolWt: 713.65 Num_heavy_atoms: 52
TPSA: 214.78 NumAromaticRings: 4

Unique Aglycone
AD04138
Formula: C12H11N3

Smiles:
Nc1ccc(N=Nc2ccccc2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.68 Num_rotatable_bonds: 2
MolWt: 197.24 Num_heavy_atoms: 15
TPSA: 50.74 NumAromaticRings: 2
AD44411
Formula: C10H10O4

Smiles:
COc1cc(C=O)ccc1OC(C)=O
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.2
AlogP: 1.43 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 52.6 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O