Glycoside
GD082340
Name:
NoneFormula:
C13H18O7N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nc(Br)c[nH]c2=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1nc(Br)c[nH]c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.21 | Num_heavy_atoms: | 24 |
| TPSA: | 154.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD36991
Formula: C7H8O3N3Br
Smiles:
O=C(NCCO)c1nc(Br)c[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.06 | Num_heavy_atoms: | 14 |
| TPSA: | 95.08 | NumAromaticRings: | 1 |
