Glycoside
...
GD017472

Name:
None

Formula:
C11H17O13N5FP3

Smiles:
C[C@]1(O)[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)nc(F)nc21

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc(F)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 8 FractionCSP3: 0.55
AlogP: -1.1 Num_rotatable_bonds: 8
MolWt: 539.2 Num_heavy_atoms: 33
TPSA: 279.13 NumAromaticRings: 2

Unique Aglycone
AD00084
Formula: C5H3N5F

Smiles:
Nc1nc(F)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.11 Num_rotatable_bonds: 0
MolWt: 152.11 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1
AD00534
Formula: CH7O10P3

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 271.98 Num_heavy_atoms: 14
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD00027

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