Glycoside
GD023814
Name:
NoneFormula:
C14H17O4N3Smiles:
CCCC#Cc1c(C#N)ncn1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCCC#CC1=C(C#N)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.31 | Num_heavy_atoms: | 21 |
| TPSA: | 111.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD15984
Formula: C9H8N3
Smiles:
CCCC#CC1=C(C#N)N=C[N]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.18 | Num_heavy_atoms: | 12 |
| TPSA: | 50.25 | NumAromaticRings: | 0 |
