Glycoside
...
GD010118

Name:
None

Formula:
C26H38O9N5PS2

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

Aglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.65
AlogP: 2.92 Num_rotatable_bonds: 12
MolWt: 659.72 Num_heavy_atoms: 43
TPSA: 208.59 NumAromaticRings: 2

Unique Aglycone
AD01206
Formula: C15H29O6PS2

Smiles:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.87
AlogP: 4.39 Num_rotatable_bonds: 9
MolWt: 400.5 Num_heavy_atoms: 24
TPSA: 78.9 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
SD01085

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