Glycoside
GD031282
Name:
NoneFormula:
C27H25O6N5SSmiles:
O=S(=O)(c1ccccc1)c1nc(NCc2cccc3ccccc23)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
O=S(=O)(c1ccccc1)c1nc2c(c(NCc3cccc4ccccc34)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 547.59 | Num_heavy_atoms: | 39 |
| TPSA: | 159.69 | NumAromaticRings: | 5 |
Unique Aglycone
AD20169
Formula: C22H16O2N5S
Smiles:
O=S(=O)(c1ccccc1)c1nc2c(c(NCc3cccc4ccccc34)n1)N=C[N]2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.47 | Num_heavy_atoms: | 30 |
| TPSA: | 98.41 | NumAromaticRings: | 4 |
