Glycoside
GD139224
Name:
15-(5,6-dihydroxy-6-methylheptan-2-yl)-4-hydroxy-7,12,16-trimethyl-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:
C36H60O11Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.86 | Num_heavy_atoms: | 47 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56138
Formula: C30H50O6
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
