Glycoside
GD020846
Name:
1-[14-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-16-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosa-6,18-dien-7-yl]ethan-1-oneFormula:
C34H50O12Smiles:
CC(=O)C1=CO[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]12Aglycone:
CC(=O)C1=COC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD14327
Formula: C23H32O4
Smiles:
CC(=O)C1=COC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
