Glycoside
GD137850
Name:
1-(but-1-en-2-yl)-5a,5b,8,11a-tetramethyl-9-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acidFormula:
C37H58O11Smiles:
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(=O)O)C5CCC43C)C12Aglycone:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55672
Formula: C31H48O5
Smiles:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
