Glycoside
GD135618
Name:
[3,4,5-tris(acetyloxy)-6-({10,11-dimethyl-8-oxotetracyclo[5.3.1.1¹,â´.0âµ,¹¹]dodecan-5-yl}oxy)oxan-2-yl]methyl acetateFormula:
C28H38O11Smiles:
CC(=O)OCC1OC(OC23CC4C(=O)CC(C)C5(CCC2C5)C43C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1CC(=O)C2CC3(O)C4CCC1(C4)C23C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.6 | Num_heavy_atoms: | 39 |
| TPSA: | 140.73 | 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 |
AD54835
Formula: C14H20O2
Smiles:
CC1CC(=O)C2CC3(O)C4CCC1(C4)C23C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.31 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
