Glycoside
GD139814
Name:
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3,4-dimethoxybenzoateFormula:
C24H32O14Smiles:
COc1ccc(C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C(O)(CO)C2O)cc1OCAglycone:
COc1ccc(C(=O)OC2C3C=COC(O)C3C(O)(CO)C2O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.51 | Num_heavy_atoms: | 38 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD56385
Formula: C18H22O9
Smiles:
COc1ccc(C(=O)OC2C3C=COC(O)C3C(O)(CO)C2O)cc1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
