Glycoside
...
GD020603

Name:
None

Formula:
C23H31O11N6P

Smiles:
CCOCC[C@H](NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCC

Aglycone:
CCOCCC(NP(=O)(OC)Oc1ccccc1)C(=O)OCC.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 4 FractionCSP3: 0.52
AlogP: 0.95 Num_rotatable_bonds: 15
MolWt: 598.51 Num_heavy_atoms: 41
TPSA: 236.4 NumAromaticRings: 2

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD14205
Formula: C15H24O6NP

Smiles:
CCOCCC(NP(=O)(OC)Oc1ccccc1)C(=O)OCC
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.53
AlogP: 2.77 Num_rotatable_bonds: 11
MolWt: 345.33 Num_heavy_atoms: 23
TPSA: 83.09 NumAromaticRings: 1

Sugarmoiety
SD00111

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