Glycoside
GD004674
Name:
15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-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:
C35H52O9Smiles:
C[C@H](CC(=O)[C@@H]1OC1(C)C)[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)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(O)(CCC(O)C4(C)C)CC3=CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 146.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD04050
Formula: C30H44O5
Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(O)(CCC(O)C4(C)C)CC3=CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 87.13 | NumAromaticRings: | 0 |
