Glycoside
GD024883
Name:
(16Alpha,20R,24S)-16,24-Epoxy-2,20,25-Trihydroxycucurbita-1,5-Diene-3,11,22-Trione 2-O-Beta-D-GlucopyranosideFormula:
C36H52O12Smiles:
CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@@H]4O[C@H](C(C)(C)O)CC(=O)[C@@](C)(O)[C@H]4[C@@]3(C)CC(=O)[C@@]21CAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C3C(CC12C)OC(C(C)(C)O)CC(=O)C3(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 676.8 | Num_heavy_atoms: | 48 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD16564
Formula: C30H42O7
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C3C(CC12C)OC(C(C)(C)O)CC(=O)C3(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
