Glycoside
GD119517
Name:
1-(8-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-oneFormula:
C29H37O13NSmiles:
CC(=O)N1CCc2ccc(O)c(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)c2C1Cc1ccc(O)cc1Aglycone:
CC(=O)N1CCc2ccc(O)c(O)c2C1Cc1ccc(O)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 607.61 | Num_heavy_atoms: | 43 |
| TPSA: | 219.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD47899
Formula: C18H19O4N
Smiles:
CC(=O)N1CCc2ccc(O)c(O)c2C1Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.35 | Num_heavy_atoms: | 23 |
| TPSA: | 81.0 | NumAromaticRings: | 2 |
