Glycoside
GD151176
Name:
1-(but-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-9-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acidFormula:
C37H60O9Smiles:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6(O)OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50018
Formula: C31H50O3
Smiles:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
