Glycoside
GD023164
Name:
NoneFormula:
C29H32O5N6SSmiles:
O=C(O)[C@@H]1C[C@H](SC[C@@H]2O[C@H](n3cnc4c(NCCc5ccc(-c6ccccc6)cc5)ncnc43)[C@H](O)[C@H]2O)CN1Aglycone:
C1=Nc2c(ncnc2NCCc2ccc(-c3ccccc3)cc2)[N]1.CSC1CNC(C(=O)O)C1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.68 | Num_heavy_atoms: | 41 |
| TPSA: | 154.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD03189
Formula: C6H11O2NS
Smiles:
CSC1CNC(C(=O)O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
AD15610
Formula: C19H16N5
Smiles:
C1=Nc2c(ncnc2NCCc2ccc(-c3ccccc3)cc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.37 | Num_heavy_atoms: | 24 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
