Glycoside
GD024559
Name:
NoneFormula:
C26H23O7N4SBrSmiles:
O=C(O)[C@@H]1CSc2c(-c3cn([C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)nn3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21Aglycone:
O=C(O)C1CSc2c(C3=C[N]N=N3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 615.46 | Num_heavy_atoms: | 39 |
| TPSA: | 159.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD16372
Formula: C21H14O3N4SBr
Smiles:
O=C(O)C1CSc2c(C3=C[N]N=N3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.34 | Num_heavy_atoms: | 30 |
| TPSA: | 98.12 | NumAromaticRings: | 3 |
