Glycoside
...
GD011921

Name:
None

Formula:
C41H54O14N4F6PCl

Smiles:
CCCCCCCCCCCCOP(=O)(O)OC1OC(C(N)=O)C(O)C(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1OC1OC(CO)C(O)C(O)C1NC(=O)c1cccc(C(F)(F)F)c1

Aglycone:
CCCCCCCCCCCCOP(=O)(O)O.NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.NC(=O)c1cccc(C(F)(F)F)c1

Sugarmoiety:
NC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 10 FractionCSP3: 0.62
AlogP: 5.12 Num_rotatable_bonds: 22
MolWt: 995.3 Num_heavy_atoms: 66
TPSA: 277.69 NumAromaticRings: 2

Unique Aglycone
AD04215
Formula: C9H6ON2F3Cl

Smiles:
NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 2.85 Num_rotatable_bonds: 1
MolWt: 238.6 Num_heavy_atoms: 15
TPSA: 55.12 NumAromaticRings: 1
AD04216
Formula: C8H6ONF3

Smiles:
NC(=O)c1cccc(C(F)(F)F)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.8 Num_rotatable_bonds: 1
MolWt: 189.14 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 1
AD09037
Formula: C12H27O4P

Smiles:
CCCCCCCCCCCCOP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 4.02 Num_rotatable_bonds: 12
MolWt: 266.32 Num_heavy_atoms: 17
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00938

NC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O