Glycoside
GD090235
Name:
NoneFormula:
C16H22O8NBrSmiles:
COc1cc(Br)c(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OAglycone:
COc1cc(Br)c(C(=O)NCCO)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.26 | Num_heavy_atoms: | 26 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD39260
Formula: C10H12O4NBr
Smiles:
COc1cc(Br)c(C(=O)NCCO)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.11 | Num_heavy_atoms: | 16 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
