Glycoside
...
GD023497

Name:
None

Formula:
C19H29O5N5

Smiles:
CCCC(CCC)C(=O)O[C@@H]1[C@H](n2cnc3c(N)ncnc32)O[C@H](CO)[C@]1(C)O

Aglycone:
CCCC(CCC)C(=O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
CC1(O)C(CO)OC(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.68
AlogP: 1.18 Num_rotatable_bonds: 8
MolWt: 407.47 Num_heavy_atoms: 29
TPSA: 145.61 NumAromaticRings: 2

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
AD05222
Formula: C8H16O2

Smiles:
CCCC(CCC)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.29 Num_rotatable_bonds: 5
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00897

CC1(O)C(CO)OC(O)C1O