Glycoside
GD096281
Name:
NoneFormula:
C20H30O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(Br)cc2N2CCN(C)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CN1CCN(c2cc(Br)ccc2C(=O)NCCO)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.38 | Num_heavy_atoms: | 30 |
| TPSA: | 114.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD40946
Formula: C14H20O2N3Br
Smiles:
CN1CCN(c2cc(Br)ccc2C(=O)NCCO)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.24 | Num_heavy_atoms: | 20 |
| TPSA: | 55.81 | NumAromaticRings: | 1 |
