Glycoside
GD142184
Name:
2-{[6-hydroxy-1,1,4a,10a,10b-pentamethyl-7-(6-methylhepta-2,5-dien-2-yl)-octadecahydrochrysen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H62O7Smiles:
CC(C)=CCC=C(C)C1CCCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCC=C(C)C1CCCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.9 | Num_heavy_atoms: | 44 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD57226
Formula: C31H52O2
Smiles:
CC(C)=CCC=C(C)C1CCCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 7.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 456.76 | Num_heavy_atoms: | 33 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
