Glycoside
...
GD014905

Name:
None

Formula:
C22H30O9N7PS

Smiles:
CCOC(=O)[C@H](CCSC)NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)Oc1ccccc1

Aglycone:
CCOC(=O)C(CCSC)NP(=O)(OC)Oc1ccccc1.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: 0.5
AlogP: 1.56 Num_rotatable_bonds: 14
MolWt: 599.56 Num_heavy_atoms: 40
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
AD06544
Formula: C14H22O5NPS

Smiles:
CCOC(=O)C(CCSC)NP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: 3.09 Num_rotatable_bonds: 10
MolWt: 347.37 Num_heavy_atoms: 22
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00111

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