Glycoside
...
GD001902

Name:
None

Formula:
C22H27O12N6P

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

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 5 FractionCSP3: 0.45
AlogP: 0.38 Num_rotatable_bonds: 14
MolWt: 598.46 Num_heavy_atoms: 41
TPSA: 264.47 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
AD01851
Formula: C14H20O7NP

Smiles:
CCOC(=O)C(CCC(=O)O)NP(=O)(OC)Oc1ccccc1
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 2.21 Num_rotatable_bonds: 10
MolWt: 345.29 Num_heavy_atoms: 23
TPSA: 111.16 NumAromaticRings: 1

Sugarmoiety
SD00111

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