Glycoside
GD152508
Name:
[1-(acetyloxy)-2,6-dimethyl-3-oxo-5-(2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-4-yl]methyl acetateFormula:
C32H40O15Smiles:
CC(=O)OCc1c(CCOC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(C)cc2c1C(=O)C(C)C2OC(C)=OAglycone:
CC(=O)OCc1c(CCO)c(C)cc2c1C(=O)C(C)C2OC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 664.66 | Num_heavy_atoms: | 47 |
| TPSA: | 193.33 | 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 |
AD60719
Formula: C18H22O6
Smiles:
CC(=O)OCc1c(CCO)c(C)cc2c1C(=O)C(C)C2OC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.37 | Num_heavy_atoms: | 24 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
