Glycoside
GD102856
Name:
NoneFormula:
C18H22O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cn(-c3ccccc3Br)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cn(-c2ccccc2Br)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.29 | Num_heavy_atoms: | 28 |
| TPSA: | 126.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD43537
Formula: C12H12O2N3Br
Smiles:
O=C(NCCO)c1cn(-c2ccccc2Br)cn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.15 | Num_heavy_atoms: | 18 |
| TPSA: | 67.15 | NumAromaticRings: | 2 |
