Glycoside
GD030189
Name:
NoneFormula:
C10H13O5N2BrSmiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cc(Br)ncc1=OAglycone:
O=c1cnc(Br)c[nH]1Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 321.13 | Num_heavy_atoms: | 18 |
| TPSA: | 104.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD19548
Formula: C4H3ON2Br
Smiles:
O=c1cnc(Br)c[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 174.99 | Num_heavy_atoms: | 8 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
