Glycoside
GD024431
Name:
NoneFormula:
C18H25O4N5Smiles:
CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD11233
Formula: C13H16N5
Smiles:
CCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.31 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
