Glycoside
GD147613
Name:
2-(hydroxymethyl)-6-[2-(hydroxymethyl)-3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triolFormula:
C24H36O13Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)ccc(OC2OC(CO)C(O)C(O)C2O)c1COAglycone:
CC(C)=CCc1c(O)ccc(O)c1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 532.54 | Num_heavy_atoms: | 37 |
| TPSA: | 218.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD59105
Formula: C12H16O3
Smiles:
CC(C)=CCc1c(O)ccc(O)c1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
