Glycoside
...
GD032402

Name:
None

Formula:
C29H36O9N6FP

Smiles:
C#C[C@@]1(O)[C@H](O)[C@](F)(COP(=O)(N[C@H](C)C(=O)OC2CCCCC2)Oc2ccccc2)O[C@H]1n1cnc2c(OCC)nc(N)nc21

Aglycone:
CCOc1nc(N)nc2c1N=C[N]2.COP(=O)(NC(C)C(=O)OC1CCCCC1)Oc1ccccc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 5 FractionCSP3: 0.52
AlogP: 2.78 Num_rotatable_bonds: 12
MolWt: 662.61 Num_heavy_atoms: 46
TPSA: 202.4 NumAromaticRings: 3

Unique Aglycone
AD02872
Formula: C7H8ON5

Smiles:
CCOc1nc(N)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 0.37 Num_rotatable_bonds: 2
MolWt: 178.18 Num_heavy_atoms: 13
TPSA: 87.49 NumAromaticRings: 1
AD13142
Formula: C16H24O5NP

Smiles:
COP(=O)(NC(C)C(=O)OC1CCCCC1)Oc1ccccc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.56
AlogP: 3.67 Num_rotatable_bonds: 7
MolWt: 341.34 Num_heavy_atoms: 23
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD01262

C#CC1(O)C(O)OC(O)(F)C1O