Glycoside
...
GD013885

Name:
None

Formula:
C20H26O9N4PCl3

Smiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)OCC(Cl)(Cl)Cl

Aglycone:
CCOC(=O)C(C)NP(=O)(OC)OCC(Cl)(Cl)Cl.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.71
AlogP: 0.89 Num_rotatable_bonds: 10
MolWt: 567.75 Num_heavy_atoms: 34
TPSA: 184.46 NumAromaticRings: 1

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
AD10296
Formula: C11H15O5NPCl3

Smiles:
CCOC(=O)C(C)NP(=O)(OC)OCC(Cl)(Cl)Cl
HBA: 6 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.67 Num_rotatable_bonds: 7
MolWt: 342.54 Num_heavy_atoms: 18
TPSA: 73.86 NumAromaticRings: 0

Sugarmoiety
SD00027

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