Glycoside
...
GD033597

Name:
None

Formula:
C24H31O7N5

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

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

Sugarmoiety:
N#CC1(O)OC(CO)OC1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.58
AlogP: 1.76 Num_rotatable_bonds: 8
MolWt: 501.54 Num_heavy_atoms: 36
TPSA: 168.13 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
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
SD03125

N#CC1(O)OC(CO)OC1O