Glycoside
GD001633
Name:
NoneFormula:
C21H31O8N3Smiles:
CCOC(=O)C#Cc1c(C(=O)OCC)nnn1[C@@H]1O[C@H](CO)[C@H](OC(C)C)[C@H]1OC(C)CAglycone:
CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C1OC(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 453.49 | Num_heavy_atoms: | 32 |
| TPSA: | 131.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD01619
Formula: C10H10O4N3
Smiles:
CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.21 | Num_heavy_atoms: | 17 |
| TPSA: | 91.42 | NumAromaticRings: | 0 |
