Glycoside
GD034790
Name:
"(2S_5S_8R_9R_10R)-2-(O-B-D-Glucopyranosyl)Neocleroda-14-Methoxy-3_13-Diene-15_14;18_19-Diolide"Formula:
C27H38O11Smiles:
COC1OC(=O)C=C1CC[C@]1(C)[C@@H]2C[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C3C(=O)OC[C@]32CC[C@H]1CAglycone:
COC1OC(=O)C=C1CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31Sugarmoiety:
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
AD22075
Formula: C21H28O6
Smiles:
COC1OC(=O)C=C1CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31| 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 |
