Glycoside
...
GD111308

Name:
None

Formula:
C31H28O15N2

Smiles:
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)=O

Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.Cc1ccc([N+](=O)[O-])cc1N

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 2 FractionCSP3: 0.23
AlogP: 3.25 Num_rotatable_bonds: 13
MolWt: 668.56 Num_heavy_atoms: 48
TPSA: 233.2 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
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