Glycoside
...
GD112144

Name:
None

Formula:
C37H36O12N6

Smiles:
COc1ccc(C(Nc2nc3c(nc([N+](=O)[O-])n3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]2)(c2ccccc2)c2ccc(OC)cc2)cc1

Aglycone:
COC(C)=O.COc1ccc(C(Nc2nc3c(c(=O)[nH]2)N=C([N+](=O)[O-])[N]3)(c2ccccc2)c2ccc(OC)cc2)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 2 FractionCSP3: 0.3
AlogP: 3.77 Num_rotatable_bonds: 13
MolWt: 756.73 Num_heavy_atoms: 55
TPSA: 225.33 NumAromaticRings: 5

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44753
Formula: C26H21O5N6

Smiles:
COc1ccc(C(Nc2nc3c(c(=O)[nH]2)N=C([N+](=O)[O-])[N]3)(c2ccccc2)c2ccc(OC)cc2)cc1
HBA: 11 RingCount: 5
HBD: 2 FractionCSP3: 0.12
AlogP: 3.7 Num_rotatable_bonds: 7
MolWt: 497.49 Num_heavy_atoms: 37
TPSA: 145.84 NumAromaticRings: 4

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O