Glycoside
GD006124
Name:
(16Alpha,20R)-20,24-Epoxy-2,16-Dihydroxy-25,26,27-Trinorcucurbita-1,5,23-Triene-3,11,22-Trione 2-O-Beta-DglucopyranosideFormula:
C33H44O11Smiles:
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](O)[C@H]([C@]4(C)OC=CC4=O)[C@@]3(C)CC(=O)[C@@]21CAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C3(C)OC=CC3=O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 616.7 | Num_heavy_atoms: | 44 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD05096
Formula: C27H34O6
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C3(C)OC=CC3=O)C(O)CC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.56 | Num_heavy_atoms: | 33 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
