Glycoside
GD040366
Name:
(2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylateFormula:
C27H36O9N2Smiles:
C=C[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CCNCCc1c[nH]c2ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCNCCc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 532.59 | Num_heavy_atoms: | 38 |
| TPSA: | 162.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD24740
Formula: C21H26O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCNCCc1c[nH]c2ccccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 370.45 | Num_heavy_atoms: | 27 |
| TPSA: | 83.58 | NumAromaticRings: | 2 |
