Glycoside
GD129153
Name:
6-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-2-{[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl]oxy}oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C31H50O17Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 694.72 | Num_heavy_atoms: | 48 |
| TPSA: | 271.59 | 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 |
