Glycoside
GD090633
Name:
NoneFormula:
C17H20O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ncnc3ccc(Br)cc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ncnc2ccc(Br)cc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.27 | Num_heavy_atoms: | 27 |
| TPSA: | 134.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD39435
Formula: C11H10O2N3Br
Smiles:
O=C(NCCO)c1ncnc2ccc(Br)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.12 | Num_heavy_atoms: | 17 |
| TPSA: | 75.11 | NumAromaticRings: | 2 |
