Glycoside
GD074567
Name:
NoneFormula:
C13H20O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cn2cc(Br)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cn1cc(Br)cn1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.22 | Num_heavy_atoms: | 23 |
| TPSA: | 126.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD34472
Formula: C7H10O2N3Br
Smiles:
O=C(Cn1cc(Br)cn1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.08 | Num_heavy_atoms: | 13 |
| TPSA: | 67.15 | NumAromaticRings: | 1 |
