Glycoside
GD010446
Name:
NoneFormula:
C10H12O9N2PBrSmiles:
O=C(CBr)c1cn(C2CC(O)C(OP(=O)(O)O)O2)c(=O)[nH]c1=OAglycone:
O=C(CBr)c1c[nH]c(=O)[nH]c1=O.O=P(O)(O)OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.09 | Num_heavy_atoms: | 23 |
| TPSA: | 168.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD08061
Formula: C6H5O3N2Br
Smiles:
O=C(CBr)c1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 233.02 | Num_heavy_atoms: | 12 |
| TPSA: | 82.79 | NumAromaticRings: | 1 |
