Glycoside
GD124026
Name:
3,19-dihydroxy-8(17),11,13-labdatrien-16,15-olide; (ent-3β,11e)-form, 19-o-β-d-glucopyranosideFormula:
C26H38O9Smiles:
C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1C=CC1=CC(=O)OC1Aglycone:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C=CC1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50075
Formula: C20H28O4
Smiles:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C=CC1=CC(=O)OC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
