Glycoside
GD032909
Name:
NoneFormula:
C32H37O7N3Br2Smiles:
CC(C)(C)c1ccc(-c2nnc([C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)o2)cc1Aglycone:
CC(C)(C)c1ccc(-c2nnco2)cc1.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(O)OCC=CBrOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 735.47 | Num_heavy_atoms: | 44 |
| TPSA: | 147.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD16840
Formula: C12H14ON2
Smiles:
CC(C)(C)c1ccc(-c2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
