Glycoside
GD135782
Name:
15-(5,6-dihydroxy-6-methylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-9-oneFormula:
C36H60O10Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48526
Formula: C30H50O5
Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
