Glycoside
...
GD027250

Name:
None

Formula:
C26H30O10N7P

Smiles:
COc1cccc(OP(=O)(N[C@H](C)C(=O)OCc2ccccc2)OC[C@]2(N=[N+]=[N-])O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)c1

Aglycone:
COc1cccc(OP(=O)(NC(C)C(=O)OCc2ccccc2)OC)c1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 2.02 Num_rotatable_bonds: 13
MolWt: 631.54 Num_heavy_atoms: 44
TPSA: 242.45 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
AD17928
Formula: C18H22O6NP

Smiles:
COc1cccc(OP(=O)(NC(C)C(=O)OCc2ccccc2)OC)c1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.28
AlogP: 3.55 Num_rotatable_bonds: 9
MolWt: 379.35 Num_heavy_atoms: 26
TPSA: 83.09 NumAromaticRings: 2

Sugarmoiety
SD00111

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