Glycoside
GD100393
Name:
NoneFormula:
C23H30O5N5Smiles:
OC[C@H]1O[C@@H](n2ccc3c(Nc4ccc(CC[NH+]5CCOCC5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Cc2c(ncnc2Nc2ccc(CC[NH+]3CCOCC3)cc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.52 | Num_heavy_atoms: | 33 |
| TPSA: | 126.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD42425
Formula: C18H21ON5
Smiles:
C1=Cc2c(ncnc2Nc2ccc(CC[NH+]3CCOCC3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.4 | Num_heavy_atoms: | 24 |
| TPSA: | 65.58 | NumAromaticRings: | 2 |
