Glycoside
GD082149
Name:
NoneFormula:
C14H19O7N2BrSmiles:
O=C(CCn1cc(Br)ccc1=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CCn1cc(Br)ccc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.22 | Num_heavy_atoms: | 24 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36887
Formula: C8H9O2N2Br
Smiles:
NC(=O)CCn1cc(Br)ccc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 245.08 | Num_heavy_atoms: | 13 |
| TPSA: | 65.09 | NumAromaticRings: | 1 |
