Glycoside
GD135479
Name:
15-Hydroxyhypocretenolide Beta-GlucopyranosideFormula:
C21H26O9Smiles:
C=C1C(=O)OC23CC1CCC(C)=C2C(=O)C=C3COC1OC(CO)C(O)C(O)C1OAglycone:
C=C1C(=O)OC23CC1CCC(C)=C2C(=O)C=C3COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54780
Formula: C15H16O4
Smiles:
C=C1C(=O)OC23CC1CCC(C)=C2C(=O)C=C3CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
