Glycoside
GD091389
Name:
NoneFormula:
C16H22O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nc(C3CC3)ncc2Br)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1nc(C2CC2)ncc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.27 | Num_heavy_atoms: | 26 |
| TPSA: | 134.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD39870
Formula: C10H12O2N3Br
Smiles:
O=C(NCCO)c1nc(C2CC2)ncc1Br| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.13 | Num_heavy_atoms: | 16 |
| TPSA: | 75.11 | NumAromaticRings: | 1 |
