Glycoside
GD157413
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxycyclohex-3-en-1-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-octahydro-2H-1-benzopyran-4-oneFormula:
C33H52O19Smiles:
CC1OC(OC2CC(O)C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C4CC=C(O)CC4)OC3C2)C(O)C(O)C1OAglycone:
O=C1C(O)C(C2CC=C(O)CC2)OC2CC(O)CC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | -4.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 752.76 | Num_heavy_atoms: | 52 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD62236
Formula: C15H22O6
Smiles:
O=C1C(O)C(C2CC=C(O)CC2)OC2CC(O)CC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.33 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
