Glycoside
GD121263
Name:
4-({[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3-(methoxymethyl)hex-4-enoic acidFormula:
C20H34O13Smiles:
CC=C(COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C(COC)CC(=O)OAglycone:
CC=C(CO)C(COC)CC(=O)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 482.48 | Num_heavy_atoms: | 33 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48799
Formula: C9H16O4
Smiles:
CC=C(CO)C(COC)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 188.22 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
