Glycoside
GD149533
Name:
4-[3-({2-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-en-2-oneFormula:
C24H38O12Smiles:
CC(=O)C=CC1=C(C)C(OC2(C3OCC(O)(CO)C3O)OC(CO)C(O)C(O)C2O)C(O)CC1(C)CAglycone:
CC(=O)C=CC1=C(C)C(O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)(C2OCC(O)(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.56 | Num_heavy_atoms: | 36 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05392
Formula: C13H20O3
Smiles:
CC(=O)C=CC1=C(C)C(O)C(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
