Glycoside
GD090743
Name:
NoneFormula:
C16H24O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C(C)(C)c2ncc(Br)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C(=O)NCCO)c1ncc(Br)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.29 | Num_heavy_atoms: | 26 |
| TPSA: | 134.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD39503
Formula: C10H14O2N3Br
Smiles:
CC(C)(C(=O)NCCO)c1ncc(Br)cn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.15 | Num_heavy_atoms: | 16 |
| TPSA: | 75.11 | NumAromaticRings: | 1 |
