Glycoside
GD143446
Name:
(6-chloro-5,7-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C26H31O12ClSmiles:
COc1ccc(C=CC(=O)OCC2(O)C(Cl)C(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C32)cc1Aglycone:
COc1ccc(C=CC(=O)OCC2(O)C(Cl)C(O)C3C=COC(O)C32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.96 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD57692
Formula: C20H21O7Cl
Smiles:
COc1ccc(C=CC(=O)OCC2(O)C(Cl)C(O)C3C=COC(O)C32)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.82 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
