Glycoside
GD037397
Name:
NoneFormula:
C16H22O6N2Smiles:
Cc1c(C#CCC(C)C)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1[nH]c(=O)[nH]c(=O)c1C#CCC(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.36 | Num_heavy_atoms: | 24 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD23562
Formula: C11H14O2N2
Smiles:
Cc1[nH]c(=O)[nH]c(=O)c1C#CCC(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
