Glycoside
GD001312
Name:
NoneFormula:
C14H19O6N3Smiles:
CC(C)(O)C#Cc1c(C(N)=O)ncn1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)(O)C#CC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 151.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD01346
Formula: C9H10O2N3
Smiles:
CC(C)(O)C#CC1=C(C(N)=O)N=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.2 | Num_heavy_atoms: | 14 |
| TPSA: | 89.78 | NumAromaticRings: | 0 |
