Glycoside
GD018471
Name:
2-{4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H27O8NSmiles:
OC[C@@H]1O[C@H](Oc2ccc(C[C@@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.46 | Num_heavy_atoms: | 31 |
| TPSA: | 151.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD06014
Formula: C16H17O3N
Smiles:
Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 271.32 | Num_heavy_atoms: | 20 |
| TPSA: | 72.72 | NumAromaticRings: | 2 |
