Glycoside
GD137126
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-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:
C25H40O13Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(CO)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)OSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.58 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | 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 |
