Glycoside
...
GD026503

Name:
None

Formula:
C21H27O7N6PS

Smiles:
COC(=O)[C@H](C)NP(=O)(Oc1ccccc1)SC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
COC(=O)C(C)NP(=O)(Oc1ccccc1)SC.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.43
AlogP: 1.49 Num_rotatable_bonds: 9
MolWt: 538.52 Num_heavy_atoms: 36
TPSA: 183.94 NumAromaticRings: 3

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD17464
Formula: C11H16O4NPS

Smiles:
COC(=O)C(C)NP(=O)(Oc1ccccc1)SC
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.36
AlogP: 2.69 Num_rotatable_bonds: 6
MolWt: 289.29 Num_heavy_atoms: 18
TPSA: 64.63 NumAromaticRings: 1

Sugarmoiety
SD00027

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