Glycoside
GD112514
Name:
4-{6-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9,13-dimethyl-17-oxotetracyclo[11.3.1.0¹,¹â°.0â´,â¹]heptadecan-14-yl}-2,5-dihydrofuran-2-oneFormula:
C30H44O7Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@]45CC[C@@H](C6=CC(=O)OC6)[C@@](C)(CC[C@@H]43)C5=O)C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD14558
Formula: C23H32O4
Smiles:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=O| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
