Glycoside
GD116182
Name:
4-hydroxy-3,5,5-trimethyl-4-{3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]but-1-en-1-yl}cyclohex-2-en-1-oneFormula:
C20H32O7Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)CC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46094
Formula: C14H22O2
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.33 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
