Glycoside
GD023393
Name:
NoneFormula:
C26H26O9NClSmiles:
COc1ccc2c(c1)c(CC(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1Aglycone:
COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.93 | Num_heavy_atoms: | 36 |
| TPSA: | 147.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD15742
Formula: C21H18O4NCl
Smiles:
COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.82 | Num_heavy_atoms: | 26 |
| TPSA: | 57.53 | NumAromaticRings: | 3 |
