Glycoside
GD156465
Name:
4-(3-{[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}butyl)-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C31H52O17Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)OSugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 696.74 | Num_heavy_atoms: | 48 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD06643
Formula: C13H22O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
