Glycoside
GD154654
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-({4-[2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H40O14Smiles:
CC(CCC1C(CO)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC(O)CCC1C(CO)=CC(=O)CC1(C)CSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.58 | Num_heavy_atoms: | 39 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD47820
Formula: C13H22O3
Smiles:
CC(O)CCC1C(CO)=CC(=O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
