Glycoside
GD120307
Name:
methyl 3-ethenyl-4-({7-hydroxy-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C36H43O14NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(OC)cc2CCN1C(=O)C=Cc1ccc(OC)c(O)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(OC)cc2CCN1C(=O)C=Cc1ccc(OC)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 713.73 | Num_heavy_atoms: | 51 |
| TPSA: | 214.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD48316
Formula: C30H33O9N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(OC)cc2CCN1C(=O)C=Cc1ccc(OC)c(O)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 551.59 | Num_heavy_atoms: | 40 |
| TPSA: | 134.99 | NumAromaticRings: | 2 |
