Glycoside
GD007709
Name:
NoneFormula:
C35H37O4N9Smiles:
CCc1cc([C@@H]2O[C@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCNc5ccccn5)nc43)[C@H](O)[C@H]2O)on1Aglycone:
C1=Nc2c(nc(NCCNc3ccccn3)nc2NCC(c2ccccc2)c2ccccc2)[N]1.CCc1ccon1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 647.74 | Num_heavy_atoms: | 48 |
| TPSA: | 168.3 | NumAromaticRings: | 6 |
Unique Aglycone
AD06248
Formula: C26H25N8
Smiles:
C1=Nc2c(nc(NCCNc3ccccn3)nc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 449.54 | Num_heavy_atoms: | 34 |
| TPSA: | 101.22 | NumAromaticRings: | 4 |
AD06249
Formula: C5H7ON
Smiles:
CCc1ccon1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 26.03 | NumAromaticRings: | 1 |
