Glycoside
GD138909
Name:
methyl 6-hydroxy-5-{[3-(4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H34O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(O)C(OC(=O)C=Cc3ccc(OC)cc3)C12Aglycone:
COC(=O)C1=COC(O)C2C(C)C(O)C(OC(=O)C=Cc3ccc(OC)cc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD56040
Formula: C21H24O8
Smiles:
COC(=O)C1=COC(O)C2C(C)C(O)C(OC(=O)C=Cc3ccc(OC)cc3)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
