Glycoside
GD073890
Name:
NoneFormula:
C18H25O6N3Smiles:
OC[C@H]1O[C@@](CO)(OCCn2cc(CCc3ccccc3)nn2)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(CCc2ccccc2)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 379.41 | Num_heavy_atoms: | 27 |
| TPSA: | 130.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD34187
Formula: C12H15ON3
Smiles:
OCCn1cc(CCc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 217.27 | Num_heavy_atoms: | 16 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
