Glycoside
GD125323
Name:
[3,4-bis(acetyloxy)-5-hydroxy-6-[4-hydroxy-2-(9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-5-methylphenoxy]oxan-2-yl]methyl acetateFormula:
C34H48O11Smiles:
CC(=O)OCC1OC(Oc2cc(C)c(O)cc2CC=C(C)CCC=C(C)CC(O)C=C(C)C)C(O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(C)=CC(O)CC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 632.75 | Num_heavy_atoms: | 45 |
| TPSA: | 158.05 | NumAromaticRings: | 1 |
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 |
AD50681
Formula: C22H32O3
Smiles:
CC(C)=CC(O)CC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 344.5 | Num_heavy_atoms: | 25 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
