Glycoside
GD126523
Name:
2-({6-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H29O8NSmiles:
CN1CCc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2C1Cc1ccc(O)cc1Aglycone:
CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.48 | Num_heavy_atoms: | 32 |
| TPSA: | 143.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD51202
Formula: C17H19O3N
Smiles:
CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 63.93 | NumAromaticRings: | 2 |
