Glycoside
GD031334
Name:
(2S_5S_8R_9R_10R_15S)-2-(O-B-D-Glucopyranosyl)Neocleroda-15-Methoxy-3_13-Diene-14_15;18_19-DiolideFormula:
C27H38O11Smiles:
CO[C@@H]1C=C(CC[C@]2(C)[C@@H]3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C=C4C(=O)OC[C@]43CC[C@H]2C)C(=O)O1Aglycone:
COC1C=C(CCC2(C)C(C)CCC34COC(=O)C3=CC(O)CC42)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.59 | Num_heavy_atoms: | 38 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD20198
Formula: C21H28O6
Smiles:
COC1C=C(CCC2(C)C(C)CCC34COC(=O)C3=CC(O)CC42)C(=O)O1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
