Glycoside
GD130438
Name:
2-(4-hydroxyphenyl)ethyl 4a-hydroxy-7-methyl-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H30O12Smiles:
CC1CC(=O)C2(O)C(C(=O)OCCc3ccc(O)cc3)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1CC(=O)C2(O)C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD52862
Formula: C18H20O7
Smiles:
CC1CC(=O)C2(O)C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
