Glycoside
GD139074
Name:
4-{3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]butyl}-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-oneFormula:
C24H40O12Smiles:
CC(CCC1C(CO)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
CC(O)CCC1C(CO)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 520.57 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | 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 |
