Glycoside
GD025266
Name:
NoneFormula:
C43H50O5N2Cl2Smiles:
CON(CCCc1ccc(N(CCCl)CCCl)cc1)C1O[C@H](C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CONCCCc1ccc(N(CCCl)CCCl)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 8.27 | Num_rotatable_bonds: | 20 |
| MolWt: | 721.77 | Num_heavy_atoms: | 50 |
| TPSA: | 52.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD03643
Formula: C16H22ON2Cl2
Smiles:
CONCCCc1ccc(N(CCCl)CCCl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 305.25 | Num_heavy_atoms: | 19 |
| TPSA: | 24.5 | NumAromaticRings: | 1 |
