Glycoside
GD130011
Name:
2-({7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H27O8NSmiles:
OCC1OC(Oc2c(O)ccc3c2C(Cc2ccc(O)cc2)NCC3)C(O)C(O)C1OAglycone:
Oc1ccc(CC2NCCc3ccc(O)c(O)c32)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
AD52674
Formula: C16H17O3N
Smiles:
Oc1ccc(CC2NCCc3ccc(O)c(O)c32)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 |
