Glycoside
GD001021
Name:
NoneFormula:
C17H24O7N3BrSmiles:
NCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=OAglycone:
NCCCCCC(=O)O.O=c1[nH]cc(C=CBr)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.3 | Num_heavy_atoms: | 28 |
| TPSA: | 156.87 | 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 |
AD01062
Formula: C6H13O2N
Smiles:
NCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 131.18 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
