Glycoside
...
GD023436

Name:
None

Formula:
C24H34O9N7P

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

Aglycone:
COP(=O)(NC(CC(C)C)C(=O)OC(C)C)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: 0.54
AlogP: 2.24 Num_rotatable_bonds: 13
MolWt: 595.55 Num_heavy_atoms: 41
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
AD15762
Formula: C16H26O5NP

Smiles:
COP(=O)(NC(CC(C)C)C(=O)OC(C)C)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.56
AlogP: 3.78 Num_rotatable_bonds: 9
MolWt: 343.36 Num_heavy_atoms: 23
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00111

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