Glycoside
GD129607
Name:
6-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-oneFormula:
C27H46O9Smiles:
CCC1CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1OC1CC(C)(O)C(O)C(C)O1Aglycone:
CCC1CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.66 | Num_heavy_atoms: | 36 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07113
Formula: C20H34O6
Smiles:
CCC1CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.49 | Num_heavy_atoms: | 26 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
