Glycoside
GD140354
Name:
2-{5-hydroxy-2-[(6-hydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H33O10NSmiles:
COc1cc(CC2c3cc(OC)c(O)cc3CCN2C)c(OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
COc1cc(CC2c3cc(OC)c(O)cc3CCN2C)c(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 507.54 | Num_heavy_atoms: | 36 |
| TPSA: | 161.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD56596
Formula: C19H23O5N
Smiles:
COc1cc(CC2c3cc(OC)c(O)cc3CCN2C)c(O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.4 | Num_heavy_atoms: | 25 |
| TPSA: | 82.39 | NumAromaticRings: | 2 |
