Glycoside
GD013761
Name:
NoneFormula:
C12H15O6N2BrSmiles:
C[C@@]1(CO)OC(n2cc(C=CBr)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cc(C=CBr)c(=O)[nH]1Sugarmoiety:
CC1(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.16 | Num_heavy_atoms: | 21 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00265
Formula: C6H5O2N2Br
Smiles:
O=c1[nH]cc(C=CBr)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 217.02 | Num_heavy_atoms: | 11 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
