Glycoside
...
GD000578

Name:
None

Formula:
C21H26O9N4F3P

Smiles:
COC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccc(C(F)(F)F)cc1

Aglycone:
COC(=O)C(C)NP(=O)(OC)Oc1ccc(C(F)(F)F)cc1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.48
AlogP: 1.21 Num_rotatable_bonds: 9
MolWt: 566.43 Num_heavy_atoms: 38
TPSA: 184.46 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD00628
Formula: C12H15O5NF3P

Smiles:
COC(=O)C(C)NP(=O)(OC)Oc1ccc(C(F)(F)F)cc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 2.99 Num_rotatable_bonds: 6
MolWt: 341.22 Num_heavy_atoms: 22
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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