Glycoside
GD153485
Name:
2-{[6-(acetyloxy)-1,4,7-trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl]oxy}-3,5-dihydroxyoxan-4-yl acetateFormula:
C29H40O8Smiles:
CC(=O)Oc1c(OC2OCC(O)C(OC(C)=O)C2O)c(C)c2c3c1C(C)CCC3C(C)CC2C=C(C)CAglycone:
CC(=O)Oc1c(O)c(C)c2c3c1C(C)CCC3C(C)CC2C=C(C)CSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.66 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.63 | Num_heavy_atoms: | 37 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD47188
Formula: C22H30O3
Smiles:
CC(=O)Oc1c(O)c(C)c2c3c1C(C)CCC3C(C)CC2C=C(C)C| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.48 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
