Glycoside
GD128747
Name:
4-(1,2,4-trihydroxy-2,6,6-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-oneFormula:
C19H32O10Smiles:
CC(=O)C=CC1(O)C(C)(C)CC(O)C(OC2OC(CO)C(O)C(O)C2O)C1(C)OAglycone:
CC(=O)C=CC1(O)C(C)(C)CC(O)C(O)C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.46 | Num_heavy_atoms: | 29 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52148
Formula: C13H22O5
Smiles:
CC(=O)C=CC1(O)C(C)(C)CC(O)C(O)C1(C)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.31 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
