Glycoside
GD020115
Name:
NoneFormula:
C11H13O5N3Smiles:
C#Cc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
C#CC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 267.24 | Num_heavy_atoms: | 19 |
| TPSA: | 130.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD13941
Formula: C6H4ON3
Smiles:
C#CC1=C(C(N)=O)N=C[N]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 69.55 | NumAromaticRings: | 0 |
