Glycoside
GD009174
Name:
NoneFormula:
C16H22O10NBrSmiles:
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)CBr)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.NC(=O)CBrSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.25 | Num_heavy_atoms: | 28 |
| TPSA: | 143.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07218
Formula: C2H4ONBr
Smiles:
NC(=O)CBr| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.96 | Num_heavy_atoms: | 5 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
