Glycoside
...
GD104955

Name:
None

Formula:
C25H22O9N2

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)Nc2ccncc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1

Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.Nc1ccncc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 2 FractionCSP3: 0.16
AlogP: 2.57 Num_rotatable_bonds: 10
MolWt: 494.46 Num_heavy_atoms: 36
TPSA: 150.35 NumAromaticRings: 3

Unique Aglycone
AD40393
Formula: C5H6N2

Smiles:
Nc1ccncc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.66 Num_rotatable_bonds: 0
MolWt: 94.12 Num_heavy_atoms: 7
TPSA: 38.91 NumAromaticRings: 1
AD44013
Formula: C8H8O2

Smiles:
COc1cccc(C=O)c1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00296

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