Glycoside
GD089024
Name:
NoneFormula:
C22H29O7N3Smiles:
N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C3)C2)c1Aglycone:
N#Cc1cccc(N2CCOCC3(CCCNC3)C2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.49 | Num_heavy_atoms: | 32 |
| TPSA: | 154.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD38906
Formula: C16H21ON3
Smiles:
N#Cc1cccc(N2CCOCC3(CCCNC3)C2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 271.36 | Num_heavy_atoms: | 20 |
| TPSA: | 48.29 | NumAromaticRings: | 1 |
