Glycoside
GD090610
Name:
NoneFormula:
C16H20O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc3cc(Br)ccn3n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc2cc(Br)ccn2n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.26 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD39418
Formula: C10H10O2N3Br
Smiles:
O=C(NCCO)c1cc2cc(Br)ccn2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.11 | Num_heavy_atoms: | 16 |
| TPSA: | 66.63 | NumAromaticRings: | 2 |
