Glycoside
...
GD110396

Name:
None

Formula:
C31H28O16N2

Smiles:
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O

Aglycone:
COc1cc(C=O)ccc1OC(C)=O.COc1cc(C=O)ccc1OC(C)=O.COc1ccc([N+](=O)[O-])cc1N

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 2 FractionCSP3: 0.23
AlogP: 2.95 Num_rotatable_bonds: 14
MolWt: 684.56 Num_heavy_atoms: 49
TPSA: 242.43 NumAromaticRings: 3

Unique Aglycone
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
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