Glycoside
GD005991
Name:
NoneFormula:
C44H61O17N4F3PClSmiles:
CCCCCCCCCCCCO[C@H](COP(=O)(O)OC1OC(C(N)=O)C(OC)C(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1OC1OC(CO)C(O)C(O)C1NC(=O)c1ccccc1)C(=O)OAglycone:
CCCCCCCCCCCCOC(COP(=O)(O)O)C(=O)O.NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.NC(=O)c1ccccc1Sugarmoiety:
COC1C(C(N)=O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 27 |
| MolWt: | 1029.39 | Num_heavy_atoms: | 69 |
| TPSA: | 313.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
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 |
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 |
