Glycoside
GD017955
Name:
(16Alpha,20R,22S,23S)-16,23:22,25-Diepoxy-2,20,22,23-Tetrahydroxycucurbita-1,5-Diene-3,11-Dione 2-O-Beta-D-GlucopyranosideFormula:
C36H52O13Smiles:
CC1(C)C[C@]2(O)O[C@@H]3C[C@]4(C)[C@@H]5CC=C6[C@H](C=C(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(=O)C6(C)C)[C@@]5(C)C(=O)C[C@@]4(C)[C@H]3[C@@](C)(O)[C@@]2(O)O1Aglycone:
CC1(C)CC2(O)OC3CC4(C)C5CC=C6C(C=C(O)C(=O)C6(C)C)C5(C)C(=O)CC4(C)C3C(C)(O)C2(O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 692.8 | Num_heavy_atoms: | 49 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD12749
Formula: C30H42O8
Smiles:
CC1(C)CC2(O)OC3CC4(C)C5CC=C6C(C=C(O)C(=O)C6(C)C)C5(C)C(=O)CC4(C)C3C(C)(O)C2(O)O1| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
