Glycoside
GD021856
Name:
15-(5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl)-3-hydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,â¸.0¹²,¹â¶]octadeca-1(18),10-dien-14-oneFormula:
C35H54O10Smiles:
C[C@H](CC(=O)[C@H](O)C(C)(C)O)[C@@H]1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(O)CC3=CC[C@]12CAglycone:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(O)(CCC(O)C4(C)C)CC3=CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD14879
Formula: C30H46O6
Smiles:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(O)(CCC(O)C4(C)C)CC3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
