Glycoside
...
GD024208

Name:
None

Formula:
C22H27O7N5

Smiles:
C#C[C@@]1(O)[C@H](OC(=O)C(C)C)[C@H](COC(=O)C(C)C)O[C@H]1n1cc(C(N)=O)c2c(N)ncnc21

Aglycone:
CC(C)C(=O)O.COC(=O)C(C)C.NC(=O)C1=C[N]c2ncnc(N)c21

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: 0.14 Num_rotatable_bonds: 7
MolWt: 473.49 Num_heavy_atoms: 34
TPSA: 181.88 NumAromaticRings: 2

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01210
Formula: C5H10O2

Smiles:
COC(=O)C(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.82 Num_rotatable_bonds: 1
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD01599
Formula: C7H6ON5

Smiles:
NC(=O)C1=C[N]c2ncnc(N)c21
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.87 Num_rotatable_bonds: 1
MolWt: 176.16 Num_heavy_atoms: 13
TPSA: 108.99 NumAromaticRings: 1

Sugarmoiety
SD00146

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