Glycoside
...
GD018417

Name:
None

Formula:
C41H66O17N5FP2

Smiles:
C#CC1(O)C(COP(=O)(O)OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC2OC(n3cc(F)c(=O)[nH]c3=O)CC2O)OC(n2ccc(N)nc2=O)C1O

Aglycone:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O)OP(=O)(O)OC.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 8 FractionCSP3: 0.76
AlogP: 3.7 Num_rotatable_bonds: 32
MolWt: 981.94 Num_heavy_atoms: 66
TPSA: 315.67 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD12996
Formula: C31H57O13N2FP2

Smiles:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O)OP(=O)(O)OC
HBA: 15 RingCount: 2
HBD: 4 FractionCSP3: 0.87
AlogP: 5.87 Num_rotatable_bonds: 29
MolWt: 746.74 Num_heavy_atoms: 49
TPSA: 205.07 NumAromaticRings: 1

Sugarmoiety
SD00146

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