Glycoside
GD012876
Name:
NoneFormula:
C34H44O8N4Br2Smiles:
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](OCC=CBr)[C@@H](O)[C@@H](O)[C@@H](OCC=CBr)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Aglycone:
CC(C)(C)c1ccc(C(=O)NN)cc1.CC(C)(C)c1ccc(C(=O)NN)cc1Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(OCC=CBr)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 796.55 | Num_heavy_atoms: | 48 |
| TPSA: | 175.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD09669
Formula: C11H16ON2
Smiles:
CC(C)(C)c1ccc(C(=O)NN)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.26 | Num_heavy_atoms: | 14 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
