Glycoside
GD130939
Name:
3,19-dihydroxy-8(17),11,13-labdatriene-15,16-dioic acid; (ent-3β,11e,13z)-form, 19-o-β-d-glucopyranosideFormula:
C26H38O11Smiles:
C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1C=CC(=CC(=O)O)C(=O)OAglycone:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C=CC(=CC(=O)O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.58 | Num_heavy_atoms: | 37 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD53066
Formula: C20H28O6
Smiles:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C=CC(=CC(=O)O)C(=O)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.44 | Num_heavy_atoms: | 26 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
