Glycoside

GD090418
Name:
NoneFormula:
C18H24O7NBrSmiles:
O=C(NCC1(c2ccccc2Br)CCOCC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
NCC1(c2ccccc2Br)CCOCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
HBA: | 8 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.56 |
AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
MolWt: | 446.29 | Num_heavy_atoms: | 27 |
TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD39342
Formula: C12H16ONBr
Smiles:
NCC1(c2ccccc2Br)CCOCC1HBA: | 2 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.5 |
AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
MolWt: | 270.17 | Num_heavy_atoms: | 15 |
TPSA: | 35.25 | NumAromaticRings: | 1 |