Glycoside
GD040071
Name:
methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylateFormula:
C27H36O9N2Smiles:
CC[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]1C[C@H]1NCCc2c1[nH]c1ccccc21Aglycone:
CCC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.59 | Num_heavy_atoms: | 38 |
| TPSA: | 162.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD24652
Formula: C21H26O4N2
Smiles:
CCC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.45 | Num_heavy_atoms: | 27 |
| TPSA: | 83.58 | NumAromaticRings: | 2 |
