Glycoside
GD016170
Name:
NoneFormula:
C32H44O8N4Br2Smiles:
CNC(=O)[C@@H](NC(=O)[C@@H](OCc1ccc(Br)cc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccc(Br)cc1)C(=O)N[C@@H](C(=O)NC)C(C)C)C(C)CAglycone:
CNC(=O)C(N)C(C)C.CNC(=O)C(N)C(C)C.Cc1ccc(Br)cc1.Cc1ccc(Br)cc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 17 |
| MolWt: | 772.53 | Num_heavy_atoms: | 46 |
| TPSA: | 175.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00511
Formula: C6H14ON2
Smiles:
CNC(=O)C(N)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD07674
Formula: C7H7Br
Smiles:
Cc1ccc(Br)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 171.04 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
