Glycoside
GD029476
Name:
NoneFormula:
C22H27O9N4BrSmiles:
NC[C@@H]1O[C@H](O[C@H](CNC(=O)c2ccc(Br)cc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(Br)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.38 | Num_heavy_atoms: | 36 |
| TPSA: | 198.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD19169
Formula: C17H18O6N3Br
Smiles:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(Br)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.25 | Num_heavy_atoms: | 27 |
| TPSA: | 133.65 | NumAromaticRings: | 2 |
