Glycoside
GD129910
Name:
2-(4-hydroxyphenyl)ethyl 5,6-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H32O12Smiles:
CC1C(O)C(O)C2C(C(=O)OCCc3ccc(O)cc3)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1C(O)C(O)C2C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.51 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD52630
Formula: C18H22O7
Smiles:
CC1C(O)C(O)C2C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
