Glycoside
GD028396
Name:
NoneFormula:
C22H27O6N3Smiles:
CC(C)(C)c1ccc(C#Cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(=O)nc2N)cc1Aglycone:
CC(C)(C)c1ccc(C#Cc2c[nH]c(=O)nc2N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 429.47 | Num_heavy_atoms: | 31 |
| TPSA: | 151.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD18557
Formula: C16H17ON3
Smiles:
CC(C)(C)c1ccc(C#Cc2c[nH]c(=O)nc2N)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 267.33 | Num_heavy_atoms: | 20 |
| TPSA: | 71.77 | NumAromaticRings: | 2 |
