Glycoside
GD085010
Name:
NoneFormula:
C20H31O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@@H](C[NH+]5CCCCC5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC(C[NH+]3CCCCC3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.51 | Num_heavy_atoms: | 30 |
| TPSA: | 121.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD38053
Formula: C15H22N6
Smiles:
C1=Nc2c(ncnc2N2CCC(C[NH+]3CCCCC3)C2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.38 | Num_heavy_atoms: | 21 |
| TPSA: | 59.92 | NumAromaticRings: | 1 |
