Glycoside
GD010313
Name:
NoneFormula:
C34H37O9N3Smiles:
COc1cccc(-c2cc(-c3cn(C4Cc5ccc(O[C@@H]6OC(C)(C)[C@H](OC)[C@H](O)[C@H]6O)c(C)c5OC4=O)nn3)ccc2OC)c1Aglycone:
COc1cccc(-c2cc(-c3cn(C4Cc5ccc(O)c(C)c5OC4=O)nn3)ccc2OC)c1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 631.68 | Num_heavy_atoms: | 46 |
| TPSA: | 143.62 | NumAromaticRings: | 4 |
Unique Aglycone
AD07987
Formula: C26H23O5N3
Smiles:
COc1cccc(-c2cc(-c3cn(C4Cc5ccc(O)c(C)c5OC4=O)nn3)ccc2OC)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.49 | Num_heavy_atoms: | 34 |
| TPSA: | 95.7 | NumAromaticRings: | 4 |
