Glycoside
GD135554
Name:
3,4-dihydroxy-5-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-3-[(1-methoxy-1H-indol-3-yl)methyl]oxolan-2-oneFormula:
C22H29O12NSmiles:
COn1cc(CC2(O)C(=O)OC(C(CO)OC3OC(CO)C(O)C(O)C3O)C2O)c2ccccc21Aglycone:
COn1cc(CC2(O)C(=O)OC(C(O)CO)C2O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.47 | Num_heavy_atoms: | 35 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD54808
Formula: C16H19O7N
Smiles:
COn1cc(CC2(O)C(=O)OC(C(O)CO)C2O)c2ccccc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 121.38 | NumAromaticRings: | 2 |
