Glycoside
GD119201
Name:
4-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5,6-tetramethyloxan-2-yl)oxy]oxan-2-yl]oxy}but-1-en-1-yl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C28H46O9Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(C)C(C)C1CAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O.CC1OC(O)C(C)C(C)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.67 | Num_heavy_atoms: | 37 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07665
Formula: C13H20O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O| 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 |
AD47718
Formula: C9H18O2
Smiles:
CC1OC(O)C(C)C(C)C1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
