Glycoside
GD078448
Name:
NoneFormula:
C18H25O4N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@]45CC[C@H](CC4)C5)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC23CCC(CC2)C3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD36024
Formula: C13H16N5
Smiles:
C1=Nc2c(ncnc2NCC23CCC(CC2)C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.31 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
