Glycoside
...
GD112113

Name:
None

Formula:
C27H24O10N2

Smiles:
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)O

Aglycone:
COc1ccc([N+](=O)[O-])cc1N.Cc1cccc(C=O)c1.Cc1cccc(C=O)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 3.69 Num_rotatable_bonds: 10
MolWt: 536.49 Num_heavy_atoms: 39
TPSA: 171.37 NumAromaticRings: 3

Unique Aglycone
AD44026
Formula: C8H8O

Smiles:
Cc1cccc(C=O)c1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.81 Num_rotatable_bonds: 1
MolWt: 120.15 Num_heavy_atoms: 9
TPSA: 17.07 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