Glycoside
...
GD005176

Name:
None

Formula:
C25H34O9N4PCl

Smiles:
CCCC[C@H](NP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccc(Cl)cc1)C(=O)OCC

Aglycone:
CCCCC(NP(=O)(OC)Oc1ccc(Cl)cc1)C(=O)OCC.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.54
AlogP: 2.4 Num_rotatable_bonds: 13
MolWt: 588.98 Num_heavy_atoms: 39
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
AD04421
Formula: C16H23O5NPCl

Smiles:
CCCCC(NP(=O)(OC)Oc1ccc(Cl)cc1)C(=O)OCC
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.53
AlogP: 4.18 Num_rotatable_bonds: 10
MolWt: 363.78 Num_heavy_atoms: 23
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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