Glycoside
...
GD082411

Name:
None

Formula:
C17H25O6N6

Smiles:
CC1(c2cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)nn2)CC[NH2+]CC1

Aglycone:
CC1(C2=C[N]N=N2)CC[NH2+]CC1.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.65
AlogP: -3.66 Num_rotatable_bonds: 4
MolWt: 409.42 Num_heavy_atoms: 29
TPSA: 172.1 NumAromaticRings: 2

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD37036
Formula: C8H14N4

Smiles:
CC1(C2=C[N]N=N2)CC[NH2+]CC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.75
AlogP: 0.18 Num_rotatable_bonds: 1
MolWt: 166.23 Num_heavy_atoms: 12
TPSA: 55.43 NumAromaticRings: 0

Sugarmoiety
SD01068

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