Glycoside
GD090462
Name:
NoneFormula:
C16H21O8N2BrSmiles:
CC(C)(C)OC(=O)c1cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(Br)cn1Aglycone:
CC(C)(C)OC(=O)c1cc(N)c(Br)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.25 | Num_heavy_atoms: | 27 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD39354
Formula: C10H13O2N2Br
Smiles:
CC(C)(C)OC(=O)c1cc(N)c(Br)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.13 | Num_heavy_atoms: | 15 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
