Glycoside
GD025060
Name:
NoneFormula:
C33H28O8N2FClSmiles:
CCC(=C(c1ccc(C=CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1ClAglycone:
CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1ClSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 623.03 | Num_heavy_atoms: | 44 |
| TPSA: | 162.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD16662
Formula: C27H20O2N2FCl
Smiles:
CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 6.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.91 | Num_heavy_atoms: | 32 |
| TPSA: | 65.98 | NumAromaticRings: | 4 |
