Glycoside
GD098175
Name:
NoneFormula:
C18H21O7N2BrSmiles:
O=C(CCc1cc(-c2ccc(Br)cc2)no1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CCc1cc(-c2ccc(Br)cc2)no1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.28 | Num_heavy_atoms: | 28 |
| TPSA: | 145.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD41769
Formula: C12H11O2N2Br
Smiles:
NC(=O)CCc1cc(-c2ccc(Br)cc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.14 | Num_heavy_atoms: | 17 |
| TPSA: | 69.12 | NumAromaticRings: | 2 |
