Glycoside
...
GD110392

Name:
None

Formula:
C30H26O15N2

Smiles:
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)=O

Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.Nc1cccc([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 2.94 Num_rotatable_bonds: 13
MolWt: 654.54 Num_heavy_atoms: 47
TPSA: 233.2 NumAromaticRings: 3

Unique Aglycone
AD25353
Formula: C6H6O2N2

Smiles:
Nc1cccc([N+](=O)[O-])c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 138.13 Num_heavy_atoms: 10
TPSA: 69.16 NumAromaticRings: 1
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