Glycoside
...
GD035060

Name:
None

Formula:
C13H21O13N4P3

Smiles:
C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 8 FractionCSP3: 0.54
AlogP: -0.25 Num_rotatable_bonds: 8
MolWt: 534.25 Num_heavy_atoms: 33
TPSA: 266.24 NumAromaticRings: 2

Unique Aglycone
AD00138
Formula: C6H5N4

Smiles:
Nc1ncnc2c1C=C[N]2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.28 Num_rotatable_bonds: 0
MolWt: 133.13 Num_heavy_atoms: 10
TPSA: 65.9 NumAromaticRings: 1
AD05022
Formula: C2H9O10P3

Smiles:
CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: 0.35 Num_rotatable_bonds: 6
MolWt: 286.01 Num_heavy_atoms: 15
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD00027

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