Glycoside
GD121646
Name:
6-[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,6-dimethylhepta-1,5-dien-1-yl]-7-hydroxy-7-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-4,7a-dimethyl-octahydro-1H-inden-5-oneFormula:
C42H68O12Smiles:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(CC=C(C)C)OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(=O)C(C)C2CCCC21CAglycone:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C(C)C2CCCC21CSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 13 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD48976
Formula: C30H48O4
Smiles:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C(C)C2CCCC21C| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
