Glycoside
GD036002
Name:
NoneFormula:
C21H20O4NClSmiles:
O[C@@H]1[C@@H](n2cc(Cc3ccccc3)c3cc(Cl)ccc32)OC[C@@H](O)[C@H]1OAglycone:
Clc1ccc2[nH]cc(Cc3ccccc3)c2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 373.84 | Num_heavy_atoms: | 26 |
| TPSA: | 74.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD22748
Formula: C16H12NCl
Smiles:
Clc1ccc2[nH]cc(Cc3ccccc3)c2c1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.72 | Num_heavy_atoms: | 17 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
