Glycoside
GD155469
Name:
4-(2-{[5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy}-2-oxoethyl)-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C26H40O14Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COAglycone:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 576.59 | Num_heavy_atoms: | 40 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD61672
Formula: C20H30O9
Smiles:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCC1C(C)C(O)CC1C(CO)CO| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 414.45 | Num_heavy_atoms: | 29 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
