Glycoside
GD026001
Name:
6-(14,17-dihydroxy-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-15-yl)-2-methylheptan-3-oneFormula:
C36H60O9Smiles:
CC(C)C(=O)CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35C[C@H](O)[C@]12CAglycone:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00976
Formula: C30H50O4
Smiles:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
