Glycoside
GD098770
Name:
NoneFormula:
C19H27O7N2BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(N3CCOCC3)c(Br)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(N2CCOCC2)c(Br)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.34 | Num_heavy_atoms: | 29 |
| TPSA: | 120.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD42018
Formula: C13H17O3N2Br
Smiles:
O=C(NCCO)c1ccc(N2CCOCC2)c(Br)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.19 | Num_heavy_atoms: | 19 |
| TPSA: | 61.8 | NumAromaticRings: | 1 |
