Glycoside
GD136681
Name:
Sordarin-1-Glucose EsterFormula:
C33H50O13Smiles:
COC1C(C)OC(OCC23CC4C(C)CCC4C4(C=O)CC2C=C(C(C)C)C43C(=O)OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.75 | Num_heavy_atoms: | 46 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00440
Formula: C20H28O4
Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
