Glycoside
...
GD004999

Name:
None

Formula:
C44H58O17N4F6PCl

Smiles:
CCCCCCCCCCCCO[C@H](COP(=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)C(=O)O

Aglycone:
CCCCCCCCCCCCOC(COP(=O)(O)O)C(=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: 21 RingCount: 4
HBD: 11 FractionCSP3: 0.63
AlogP: 4.59 Num_rotatable_bonds: 26
MolWt: 1083.36 Num_heavy_atoms: 72
TPSA: 324.22 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
AD04287
Formula: C15H31O7P

Smiles:
CCCCCCCCCCCCOC(COP(=O)(O)O)C(=O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.93
AlogP: 3.49 Num_rotatable_bonds: 16
MolWt: 354.38 Num_heavy_atoms: 23
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00938

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