Glycoside
GD117262
Name:
4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C26H35O11NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1NCCc2cc(OC)c(OC)cc21Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1NCCc2cc(OC)c(OC)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.56 | Num_heavy_atoms: | 38 |
| TPSA: | 176.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD46727
Formula: C20H25O6N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1NCCc2cc(OC)c(OC)cc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.42 | Num_heavy_atoms: | 27 |
| TPSA: | 97.25 | NumAromaticRings: | 1 |
