Glycoside
GD022733
Name:
NoneFormula:
C27H31O7N3Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)C(n2cc(-c4ccc(C)cc4)nn2)C3)OC1(C)CAglycone:
Cc1ccc(-c2cn(C3Cc4ccc(O)c(C)c4OC3=O)nn2)cc1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 509.56 | Num_heavy_atoms: | 37 |
| TPSA: | 125.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD15378
Formula: C19H17O3N3
Smiles:
Cc1ccc(-c2cn(C3Cc4ccc(O)c(C)c4OC3=O)nn2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 335.36 | Num_heavy_atoms: | 25 |
| TPSA: | 77.24 | NumAromaticRings: | 3 |
