Glycoside
...
GD111304

Name:
None

Formula:
C27H24O12N2

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1

Aglycone:
COc1ccc([N+](=O)[O-])cc1N.COc1cccc(C=O)c1.COc1cccc(C=O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 3.09 Num_rotatable_bonds: 12
MolWt: 568.49 Num_heavy_atoms: 41
TPSA: 189.83 NumAromaticRings: 3

Unique Aglycone
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
AD44632
Formula: C7H8O3N2

Smiles:
COc1ccc([N+](=O)[O-])cc1N
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 78.39 NumAromaticRings: 1

Sugarmoiety
SD00296

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