Glycoside
...
GD035997

Name:
None

Formula:
C22H28O8N6FP

Smiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1.Nc1nc(F)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.45
AlogP: 1.3 Num_rotatable_bonds: 10
MolWt: 554.47 Num_heavy_atoms: 38
TPSA: 193.17 NumAromaticRings: 3

Unique Aglycone
AD00084
Formula: C5H3N5F

Smiles:
Nc1nc(F)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.11 Num_rotatable_bonds: 0
MolWt: 152.11 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1
AD00514
Formula: C12H18O5NP

Smiles:
CCOC(=O)C(C)NP(=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