Glycoside
GD117205
Name:
4-hydroxy-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C36H58O9Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46694
Formula: C30H48O4
Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
