Glycoside
GD118106
Name:
3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl acetateFormula:
C27H38O7Smiles:
CC(=O)Oc1c(OC2OCC(O)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:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.59 | Num_heavy_atoms: | 34 |
| TPSA: | 105.45 | 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 |
