Glycoside
...
GD032799

Name:
None

Formula:
C23H29O8N5FP

Smiles:
COC(=O)[C@H](C)NP(=O)(Oc1ccccc1)O[C@H](C)[C@@H]1O[C@H](n2cc(F)c3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCOP(=O)(NC(C)C(=O)OC)Oc1ccccc1.Nc1ncnc2c1C(F)=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.43
AlogP: 1.91 Num_rotatable_bonds: 9
MolWt: 553.48 Num_heavy_atoms: 38
TPSA: 180.28 NumAromaticRings: 3

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
AD08725
Formula: C12H18O5NP

Smiles:
CCOP(=O)(NC(C)C(=O)OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 2.36 Num_rotatable_bonds: 7
MolWt: 287.25 Num_heavy_atoms: 19
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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