Glycoside
...
GD026582

Name:
None

Formula:
C26H27O9N7PCl

Smiles:
C[C@H](NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1

Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 5 FractionCSP3: 0.32
AlogP: 2.66 Num_rotatable_bonds: 12
MolWt: 635.96 Num_heavy_atoms: 43
TPSA: 233.22 NumAromaticRings: 3

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
AD12299
Formula: C18H19O5NPCl

Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.24
AlogP: 4.19 Num_rotatable_bonds: 8
MolWt: 383.77 Num_heavy_atoms: 25
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00111

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