Glycoside
GD030887
Name:
8(17),13-Labdadien-16,15-Olid-19-Oic Acid; Ent-Form, 19-O-β-D-Glucopyranosyl EsterFormula:
C26H38O9Smiles:
C=C1CC[C@@H]2[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CCC[C@@]2(C)[C@H]1CCC1=CCOC1=OAglycone:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD19058
Formula: C20H28O4
Smiles:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC1=CCOC1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
