Glycoside
GD029404
Name:
NoneFormula:
C13H15O8N2BrSmiles:
COC(=O)C(Br)=Cc1cc(=O)[nH]c(=O)n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COC(=O)C(Br)=Cc1cc(=O)[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.17 | Num_heavy_atoms: | 24 |
| TPSA: | 151.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD19130
Formula: C8H7O4N2Br
Smiles:
COC(=O)C(Br)=Cc1cc(=O)[nH]c(=O)[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.06 | Num_heavy_atoms: | 15 |
| TPSA: | 92.02 | NumAromaticRings: | 1 |
