Glycoside
...
GD034456

Name:
None

Formula:
C22H28O8N5P

Smiles:
CC(OP(=O)(N[C@H](C)C(=O)O)Oc1ccccc1)[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCOP(=O)(NC(C)C(=O)O)Oc1ccccc1.Nc1ncnc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.41
AlogP: 1.68 Num_rotatable_bonds: 9
MolWt: 521.47 Num_heavy_atoms: 36
TPSA: 191.28 NumAromaticRings: 3

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
AD21904
Formula: C11H16O5NP

Smiles:
CCOP(=O)(NC(C)C(=O)O)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.36
AlogP: 2.27 Num_rotatable_bonds: 7
MolWt: 273.22 Num_heavy_atoms: 18
TPSA: 84.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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