Glycoside
GD017759
Name:
23-O-Acetylshengmanol 3-O-Beta-D-XylopyranosideFormula:
C37H58O10Smiles:
CC(=O)O[C@H](C[C@H](C)[C@@H]1C(=O)[C@H](O)[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)CAglycone:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 155.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD12638
Formula: C32H50O6
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
