Glycoside
GD130674
Name:
methyl 3-ethenyl-4-(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H34O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C=Cc1ccc(O)c(OC)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD52951
Formula: C21H24O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
