Glycoside
...
GD032021

Name:
None

Formula:
C22H27O9N8P

Smiles:
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1O)Oc1ccccc1

Aglycone:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.O=c1[nH]cnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.45
AlogP: 1.51 Num_rotatable_bonds: 11
MolWt: 578.48 Num_heavy_atoms: 40
TPSA: 235.88 NumAromaticRings: 3

Unique Aglycone
AD01144
Formula: C5H3ON4

Smiles:
O=c1[nH]cnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: -0.32 Num_rotatable_bonds: 0
MolWt: 135.11 Num_heavy_atoms: 10
TPSA: 72.21 NumAromaticRings: 1
AD04990
Formula: C13H20O5NP

Smiles:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.46
AlogP: 2.75 Num_rotatable_bonds: 7
MolWt: 301.28 Num_heavy_atoms: 20
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00111

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