Glycoside
GD037229
Name:
NoneFormula:
C18H25O8N3Smiles:
CCOC(=O)C#Cc1c(C(=O)OCC)nnn1[C@@H]1O[C@H](COC)[C@H](OC)[C@H]1OCAglycone:
CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1Sugarmoiety:
COCC1OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 411.41 | Num_heavy_atoms: | 29 |
| TPSA: | 120.23 | 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 |
