Glycoside
GD102031
Name:
NoneFormula:
C20H24O8NBrSmiles:
COc1cc(Br)c2oc(C3CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)cc2c1Aglycone:
COc1cc(Br)c2oc(C3CCNCC3)cc2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.32 | Num_heavy_atoms: | 30 |
| TPSA: | 140.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD43200
Formula: C14H16O2NBr
Smiles:
COc1cc(Br)c2oc(C3CCNCC3)cc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 310.19 | Num_heavy_atoms: | 18 |
| TPSA: | 34.4 | NumAromaticRings: | 2 |
