Glycoside
...
GD036074

Name:
None

Formula:
C51H50O14N8

Smiles:
O=C(Cn1cc(COC[C@@H]2O[C@H](OCc3cn(CC(=O)OCc4ccc([N+](=O)[O-])cc4)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)OCc1ccc([N+](=O)[O-])cc1

Aglycone:
COCc1cn(CC(=O)OCc2ccc([N+](=O)[O-])cc2)nn1.O=C(Cn1cc(CO)nn1)OCc1ccc([N+](=O)[O-])cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 0 FractionCSP3: 0.29
AlogP: 6.39 Num_rotatable_bonds: 26
MolWt: 999.0 Num_heavy_atoms: 73
TPSA: 255.68 NumAromaticRings: 7

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD22785
Formula: C13H14O5N4

Smiles:
COCc1cn(CC(=O)OCc2ccc([N+](=O)[O-])cc2)nn1
HBA: 9 RingCount: 2
HBD: 0 FractionCSP3: 0.31
AlogP: 1.08 Num_rotatable_bonds: 7
MolWt: 306.28 Num_heavy_atoms: 22
TPSA: 109.38 NumAromaticRings: 2
AD22786
Formula: C12H12O5N4

Smiles:
O=C(Cn1cc(CO)nn1)OCc1ccc([N+](=O)[O-])cc1
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 0.42 Num_rotatable_bonds: 6
MolWt: 292.25 Num_heavy_atoms: 21
TPSA: 120.38 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O