Glycoside
GD131952
Name:
4-hydroxy-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C36H58O8Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(C5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)CCC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53427
Formula: C30H48O3
Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)CCC(O)C45CC35CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
