Glycoside
GD007362
Name:
NoneFormula:
C34H33O12N2BrSmiles:
CCCC(=O)c1ccc2c(c1)C(=C1C(=O)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3ccc(Br)cc31)C(=O)N2Aglycone:
CCCC(=O)c1ccc2c(c1)C(=C1C(=O)Nc3ccc(Br)cc31)C(=O)N2.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 741.54 | Num_heavy_atoms: | 49 |
| TPSA: | 180.91 | NumAromaticRings: | 2 |
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 |
AD06002
Formula: C20H15O3N2Br
Smiles:
CCCC(=O)c1ccc2c(c1)C(=C1C(=O)Nc3ccc(Br)cc31)C(=O)N2| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.26 | Num_heavy_atoms: | 26 |
| TPSA: | 75.27 | NumAromaticRings: | 2 |
