Glycoside
...
GD005431

Name:
None

Formula:
C31H39O8N5FP

Smiles:
CCCCOC(=O)[C@H](C)NP(=O)(Oc1cccc2ccccc12)O[C@H](CC)[C@@H]1O[C@H](n2cc(F)c3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCCCOC(=O)C(C)NP(=O)(OCCC)Oc1cccc2ccccc12.Nc1ncnc2c1C(F)=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.45
AlogP: 4.62 Num_rotatable_bonds: 13
MolWt: 659.65 Num_heavy_atoms: 46
TPSA: 180.28 NumAromaticRings: 4

Unique Aglycone
AD01026
Formula: C6H4N4F

Smiles:
Nc1ncnc2c1C(F)=C[N]2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.58 Num_rotatable_bonds: 0
MolWt: 151.12 Num_heavy_atoms: 11
TPSA: 65.9 NumAromaticRings: 1
AD04616
Formula: C20H28O5NP

Smiles:
CCCCOC(=O)C(C)NP(=O)(OCCC)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.45
AlogP: 5.07 Num_rotatable_bonds: 11
MolWt: 393.42 Num_heavy_atoms: 27
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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