Glycoside
...
GD012035

Name:
None

Formula:
C22H28O8N9P

Smiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N)nc(N=[N+]=[N-])nc32)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1.[N-]=[N+]=Nc1nc(N)c2c(n1)[N]C=N2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 5 FractionCSP3: 0.45
AlogP: 2.1 Num_rotatable_bonds: 11
MolWt: 577.5 Num_heavy_atoms: 40
TPSA: 241.93 NumAromaticRings: 3

Unique Aglycone
AD00514
Formula: C12H18O5NP

Smiles:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 2.36 Num_rotatable_bonds: 7
MolWt: 287.25 Num_heavy_atoms: 19
TPSA: 73.86 NumAromaticRings: 1
AD00533
Formula: C5H3N8

Smiles:
[N-]=[N+]=Nc1nc(N)c2c(n1)[N]C=N2
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.91 Num_rotatable_bonds: 1
MolWt: 175.14 Num_heavy_atoms: 13
TPSA: 127.02 NumAromaticRings: 1

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O