Glycoside
GD023086
Name:
NoneFormula:
C22H26O7N2Smiles:
CC(C)(C)c1ccc(C#Cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(=O)nc2O)cc1Aglycone:
CC(C)(C)c1ccc(C#Cc2c[nH]c(=O)nc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 145.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD15570
Formula: C16H16O2N2
Smiles:
CC(C)(C)c1ccc(C#Cc2c[nH]c(=O)nc2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 268.32 | Num_heavy_atoms: | 20 |
| TPSA: | 65.98 | NumAromaticRings: | 2 |
