Glycoside
GD013813
Name:
NoneFormula:
C24H35O8N2BrSmiles:
CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc1ccc(Br)cc1)C(=O)NC(=O)[C@H](C)C(C)CAglycone:
Brc1ccccc1.CC(C)C(C)C(N)=O.CC(C)C(C)C(N)=OSugarmoiety:
O=C(O)C(O)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 559.45 | Num_heavy_atoms: | 35 |
| TPSA: | 162.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD02890
Formula: C6H13ON
Smiles:
CC(C)C(C)C(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 115.18 | Num_heavy_atoms: | 8 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD10248
Formula: C6H5Br
Smiles:
Brc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 157.01 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
