Glycoside
...
GD011033

Name:
None

Formula:
C21H28O7N7P

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

Aglycone:
CNP(=O)(NC(C)C(=O)OC)Oc1ccccc1.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.43
AlogP: 0.35 Num_rotatable_bonds: 9
MolWt: 521.47 Num_heavy_atoms: 36
TPSA: 195.97 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
AD08461
Formula: C11H17O4N2P

Smiles:
CNP(=O)(NC(C)C(=O)OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.36
AlogP: 1.54 Num_rotatable_bonds: 6
MolWt: 272.24 Num_heavy_atoms: 18
TPSA: 76.66 NumAromaticRings: 1

Sugarmoiety
SD00027

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