Glycoside
...
GD021293

Name:
None

Formula:
C28H37O8N6P

Smiles:
CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@](C#N)(c2ccc3c(N)ncnn23)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
CCC(CC)COC(=O)C(C)NP(=O)(OC)Oc1ccccc1.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.5
AlogP: 2.7 Num_rotatable_bonds: 13
MolWt: 616.61 Num_heavy_atoms: 43
TPSA: 203.55 NumAromaticRings: 3

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
AD07425
Formula: C16H26O5NP

Smiles:
CCC(CC)COC(=O)C(C)NP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.56
AlogP: 3.78 Num_rotatable_bonds: 10
MolWt: 343.36 Num_heavy_atoms: 23
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD01196

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