Glycoside
GD144863
Name:
methyl 4a,7-dihydroxy-6-{[3-(3-hydroxy-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:
C27H34O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(O)c1)C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(O)c1)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 231.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD58180
Formula: C21H24O10
Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(O)c1)C2(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
