Glycoside
GD036008
Name:
NoneFormula:
C23H23O4N10ClSSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1c[nH]c3ccc(Cl)cc13)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 559.01 | Num_heavy_atoms: | 38 |
| TPSA: | 212.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD07898
Formula: C18H15ON7ClS
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1c[nH]c3ccc(Cl)cc13)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.88 | Num_heavy_atoms: | 27 |
| TPSA: | 123.15 | NumAromaticRings: | 3 |
