Glycoside
GD134873
Name:
[3,4-bis(acetyloxy)-5-hydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C22H34O9Smiles:
CC(=O)OCC1OC(OC(C)(C)C2CC=C(C)CC2)C(O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1=CCC(C(C)(C)O)CC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.51 | Num_heavy_atoms: | 31 |
| TPSA: | 117.59 | 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 |
AD02252
Formula: C10H18O
Smiles:
CC1=CCC(C(C)(C)O)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
