Glycoside
...
GD036811

Name:
None

Formula:
C16H21O11N6F2P2Cl

Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)OCCNC(=O)CCl)[C@H](O)[C@H]2O)c(=O)[nH]1

Aglycone:
COP(=O)(O)C(F)(F)P(=O)(O)OCCNC(=O)CCl.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 8 FractionCSP3: 0.6
AlogP: -1.37 Num_rotatable_bonds: 11
MolWt: 596.76 Num_heavy_atoms: 37
TPSA: 261.44 NumAromaticRings: 2

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD23213
Formula: C7H12O7NF2P2Cl

Smiles:
COP(=O)(O)C(F)(F)P(=O)(O)OCCNC(=O)CCl
HBA: 8 RingCount: 0
HBD: 3 FractionCSP3: 0.83
AlogP: 0.93 Num_rotatable_bonds: 8
MolWt: 345.56 Num_heavy_atoms: 19
TPSA: 122.16 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O