Glycoside
GD028659
Name:
NoneFormula:
C22H30O7N3BrSmiles:
CCCOc1ccc(NC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1Aglycone:
CCCOc1ccc(N)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.4 | Num_heavy_atoms: | 33 |
| TPSA: | 157.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD18702
Formula: C16H20O2N3Br
Smiles:
CCCOc1ccc(N)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.26 | Num_heavy_atoms: | 22 |
| TPSA: | 81.0 | NumAromaticRings: | 2 |
