Glycoside
GD092148
Name:
NoneFormula:
C20H31O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC4CC[NH+](C[C@@H]5CCCO5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC[NH+](CC3CCCO3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.51 | Num_heavy_atoms: | 31 |
| TPSA: | 139.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD40233
Formula: C15H22ON6
Smiles:
C1=Nc2c(ncnc2NC2CC[NH+](CC3CCCO3)CC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.38 | Num_heavy_atoms: | 22 |
| TPSA: | 77.94 | NumAromaticRings: | 1 |
