Glycoside
GD006202
Name:
NoneFormula:
C25H27O9N3Smiles:
COc1ccc2c(c1)C(=C1Nc3ccccc3C1=NOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N2Aglycone:
COc1ccc2c(c1)C(=C1Nc3ccccc3C1=NOCCO)C(=O)N2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 513.5 | Num_heavy_atoms: | 37 |
| TPSA: | 171.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD05150
Formula: C19H17O4N3
Smiles:
COc1ccc2c(c1)C(=C1Nc3ccccc3C1=NOCCO)C(=O)N2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.36 | Num_heavy_atoms: | 26 |
| TPSA: | 92.18 | NumAromaticRings: | 2 |
