Glycoside
GD084607
Name:
NoneFormula:
C15H21O7N2BrSmiles:
COc1cc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(Br)n1Aglycone:
COc1cc(C(=O)NCCO)cc(Br)n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.24 | Num_heavy_atoms: | 25 |
| TPSA: | 130.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD37811
Formula: C9H11O3N2Br
Smiles:
COc1cc(C(=O)NCCO)cc(Br)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.1 | Num_heavy_atoms: | 15 |
| TPSA: | 71.45 | NumAromaticRings: | 1 |
