Glycoside
GD132757
Name:
methyl 4-({6,7-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-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-carboxylateFormula:
C35H41O14NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(=O)C=Cc1ccc(O)c(OC)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 699.71 | Num_heavy_atoms: | 50 |
| TPSA: | 225.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD53747
Formula: C29H31O9N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 537.57 | Num_heavy_atoms: | 39 |
| TPSA: | 145.99 | NumAromaticRings: | 2 |
