Glycoside
GD113870
Name:
NoneFormula:
C39H28O10NCl3Smiles:
N=C(O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)C(Cl)(Cl)ClAglycone:
COC(=O)c1ccccc1.N=C(O)C(Cl)(Cl)Cl.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 6.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 740.98 | Num_heavy_atoms: | 50 |
| TPSA: | 147.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD08593
Formula: C5H2ONCl3
Smiles:
N=C(O)C(Cl)(Cl)Cl| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.4 | Num_heavy_atoms: | 7 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
