Glycoside
...
GD030079

Name:
None

Formula:
C25H30O9N7PCl2

Smiles:
CCOC(=O)[C@H](CC(C)C)NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)Oc1ccc(Cl)c(Cl)c1

Aglycone:
CCOC(=O)C(CC(C)C)NP(=O)(OC)Oc1ccc(Cl)c(Cl)c1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 5 FractionCSP3: 0.52
AlogP: 3.16 Num_rotatable_bonds: 13
MolWt: 650.41 Num_heavy_atoms: 42
TPSA: 233.22 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
AD19485
Formula: C17H22O5NPCl2

Smiles:
CCOC(=O)C(CC(C)C)NP(=O)(OC)Oc1ccc(Cl)c(Cl)c1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.53
AlogP: 4.69 Num_rotatable_bonds: 9
MolWt: 398.22 Num_heavy_atoms: 24
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00111

[N-]=[N+]=NC1(O)OC(O)C(O)C1O