Glycoside
GD025656
Name:
(16Alpha,20S,22S,23S)-16,23:22,25-Diepoxy-2,22,23-Trihydroxycucurbita-1,5-Diene-3,11-Dione 2-O-Beta-D-GlucopyranosideFormula:
C36H52O12Smiles:
C[C@@H]1[C@@H]2[C@H](C[C@]3(C)[C@@H]4CC=C5[C@H](C=C(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)C5(C)C)[C@@]4(C)C(=O)C[C@]23C)O[C@]2(O)CC(C)(C)O[C@]12OAglycone:
CC1C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)OC2(O)CC(C)(C)OC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 676.8 | Num_heavy_atoms: | 48 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD16989
Formula: C30H42O7
Smiles:
CC1C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)OC2(O)CC(C)(C)OC12O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
