Glycoside
GD034724
Name:
(2S_5S_8R_9R_10R)-2-(O-B-D-Glucopyranosyl)-Neocleroda-3-En-9-Oxobutyl-18_19-OlideFormula:
C24H36O9Smiles:
CC(=O)CC[C@]1(C)[C@@H]2C[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C3C(=O)OC[C@]32CC[C@H]1CAglycone:
CC(=O)CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.54 | Num_heavy_atoms: | 33 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD22042
Formula: C18H26O4
Smiles:
CC(=O)CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.4 | Num_heavy_atoms: | 22 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
