Glycoside
GD114541
Name:
[3Ar-[3Aalpha,5(S*),7Aalpha]]-5-[4-[(6-O-Acetyl-Beta-D-Glucopyranosyl)Oxy]-1-Methylbutyl]-3A,4,7,7A-Tetrahydro-6-Methyl-3-Methylene-2(3H)-BenzofuranoneFormula:
C23H34O9Smiles:
C=C1C(=O)OC2CC(C)=C(C(C)CCCOC3OC(COC(C)=O)C(O)C(O)C3O)CC12Aglycone:
C=C1C(=O)OC2CC(C)=C(C(C)CCCO)CC12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.52 | Num_heavy_atoms: | 32 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45124
Formula: C15H22O3
Smiles:
C=C1C(=O)OC2CC(C)=C(C(C)CCCO)CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
