Glycoside
...
GD010605

Name:
None

Formula:
C18H25O8N6P

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

Aglycone:
CCOC(=O)C(C)NP(=O)(O)OC.Nc1ncnn2cccc12

Sugarmoiety:
CC1(O)C(O)C(O)OC1(O)C#N

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.56
AlogP: -0.8 Num_rotatable_bonds: 8
MolWt: 484.41 Num_heavy_atoms: 33
TPSA: 214.55 NumAromaticRings: 2

Unique Aglycone
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
AD08169
Formula: C6H14O5NP

Smiles:
CCOC(=O)C(C)NP(=O)(O)OC
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.27 Num_rotatable_bonds: 5
MolWt: 211.15 Num_heavy_atoms: 13
TPSA: 84.86 NumAromaticRings: 0

Sugarmoiety
SD01196

CC1(O)C(O)C(O)OC1(O)C#N