Glycoside
GD021077
Name:
NoneFormula:
C20H22O6N2Smiles:
CCCc1ccc(C#Cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)[nH]c2=O)cc1Aglycone:
CCCc1ccc(C#Cc2c[nH]c(=O)[nH]c2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 124.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD14458
Formula: C15H14O2N2
Smiles:
CCCc1ccc(C#Cc2c[nH]c(=O)[nH]c2=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.29 | Num_heavy_atoms: | 19 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
