Glycoside
...
GD007373

Name:
None

Formula:
C17H22O5N6

Smiles:
CC(C)[C@H](N)C(=O)O[C@@H]1[C@H](CO)O[C@](C#N)(c2ccc3c(N)ncnn23)[C@H]1O

Aglycone:
CC(C)C(N)C(=O)O.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.53
AlogP: -1.32 Num_rotatable_bonds: 5
MolWt: 390.4 Num_heavy_atoms: 28
TPSA: 182.01 NumAromaticRings: 2

Unique Aglycone
AD02767
Formula: C5H11O2N

Smiles:
CC(C)C(N)C(=O)O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: 0.05 Num_rotatable_bonds: 2
MolWt: 117.15 Num_heavy_atoms: 8
TPSA: 63.32 NumAromaticRings: 0
AD05072
Formula: C6H6N4

Smiles:
Nc1ncnn2cccc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.31 Num_rotatable_bonds: 0
MolWt: 134.14 Num_heavy_atoms: 10
TPSA: 56.21 NumAromaticRings: 2

Sugarmoiety
SD01241

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