Glycoside
GD129114
Name:
2-(4-hydroxyphenyl)ethyl 1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-methyl-6-oxo-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C30H40O16Smiles:
CC1C(=O)CC2C(C(=O)OCCc3ccc(O)cc3)=COC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C12Aglycone:
CC1C(=O)CC2C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 656.63 | Num_heavy_atoms: | 46 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD52297
Formula: C18H20O6
Smiles:
CC1C(=O)CC2C(C(=O)OCCc3ccc(O)cc3)=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
