Glycoside
...
GD014486

Name:
None

Formula:
C29H36O9N6

Smiles:
CC(C)O[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](COC(=O)CCCC(=O)Oc2ccc(C=C[N+](=O)[O-])cc2)[C@H]1OC(C)C

Aglycone:
COC(=O)CCCC(=O)Oc1ccc(C=C[N+](=O)[O-])cc1.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.48
AlogP: 3.46 Num_rotatable_bonds: 14
MolWt: 612.64 Num_heavy_atoms: 44
TPSA: 193.05 NumAromaticRings: 3

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD10643
Formula: C14H15O6N

Smiles:
COC(=O)CCCC(=O)Oc1ccc(C=C[N+](=O)[O-])cc1
HBA: 7 RingCount: 1
HBD: 0 FractionCSP3: 0.29
AlogP: 2.18 Num_rotatable_bonds: 7
MolWt: 293.28 Num_heavy_atoms: 21
TPSA: 95.74 NumAromaticRings: 1

Sugarmoiety
SD00754

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