Glycoside
GD036416
Name:
NoneFormula:
C25H26O7NBrSmiles:
CO[C@@H]1O[C@H](COc2ccc3c(c2)C(C)(C)c2[nH]c4cc(Br)ccc4c2C3=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.39 | Num_heavy_atoms: | 34 |
| TPSA: | 121.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD22967
Formula: C19H16O2NBr
Smiles:
COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.25 | Num_heavy_atoms: | 23 |
| TPSA: | 42.09 | NumAromaticRings: | 3 |
