Glycoside
...
GD098238

Name:
None

Formula:
C21H31O7N7

Smiles:
CC(C)(C)OC(=O)N1CCC(c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](O)[C@@H]3O)nn2)CC1

Aglycone:
CC(C)(C)OC(=O)N1CCC(C2=C[N]N=N2)CC1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OCC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.67
AlogP: -0.87 Num_rotatable_bonds: 4
MolWt: 493.52 Num_heavy_atoms: 35
TPSA: 191.08 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD41803
Formula: C12H19O2N4

Smiles:
CC(C)(C)OC(=O)N1CCC(C2=C[N]N=N2)CC1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.75
AlogP: 2.46 Num_rotatable_bonds: 1
MolWt: 251.31 Num_heavy_atoms: 18
TPSA: 68.36 NumAromaticRings: 0

Sugarmoiety
SD01068

OCC1(O)OC(O)C(O)C1O