Glycoside
GD144204
Name:
2-(4-hydroxyphenyl)ethyl 8-methyl-6-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C24H30O12Smiles:
CC1OC(=O)CC2C(C(=O)OCCc3ccc(O)cc3)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1OC(=O)CC2C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD57962
Formula: C18H20O7
Smiles:
CC1OC(=O)CC2C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
