Glycoside
...
GD111305

Name:
None

Formula:
C27H24O11N2

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1

Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.Cc1ccc([N+](=O)[O-])cc1N

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 3.39 Num_rotatable_bonds: 11
MolWt: 552.49 Num_heavy_atoms: 40
TPSA: 180.6 NumAromaticRings: 3

Unique Aglycone
AD02067
Formula: C7H8O2N2

Smiles:
Cc1ccc([N+](=O)[O-])cc1N
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.49 Num_rotatable_bonds: 1
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 69.16 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