Glycoside
GD098146
Name:
NoneFormula:
C17H24O7N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCC(=O)Nc2ccc(Br)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CCC(=O)Nc1ccc(Br)cn1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.3 | Num_heavy_atoms: | 28 |
| TPSA: | 150.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD41756
Formula: C11H14O3N3Br
Smiles:
O=C(CCC(=O)Nc1ccc(Br)cn1)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 316.16 | Num_heavy_atoms: | 18 |
| TPSA: | 91.32 | NumAromaticRings: | 1 |
