Glycoside
...
GD028087

Name:
None

Formula:
C13H17O13N4P3

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

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 8 FractionCSP3: 0.38
AlogP: -1.4 Num_rotatable_bonds: 8
MolWt: 530.22 Num_heavy_atoms: 33
TPSA: 265.72 NumAromaticRings: 2

Unique Aglycone
AD00534
Formula: CH7O10P3

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 271.98 Num_heavy_atoms: 14
TPSA: 159.82 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
SD01360

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