Glycoside
...
GD017571

Name:
None

Formula:
C21H26O9N4PCl

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

Aglycone:
COC(=O)CCNP(=O)(OC)Oc1ccc(Cl)cc1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.45
AlogP: 0.84 Num_rotatable_bonds: 10
MolWt: 532.87 Num_heavy_atoms: 35
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
AD12524
Formula: C12H15O5NPCl

Smiles:
COC(=O)CCNP(=O)(OC)Oc1ccc(Cl)cc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.36
AlogP: 2.63 Num_rotatable_bonds: 7
MolWt: 307.67 Num_heavy_atoms: 19
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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