Glycoside
GD136119
Name:
Sordarin DFormula:
C27H38O9Smiles:
COC1C(C)OC(OCC23CC4C(C)CCC4C4(C=O)CC2C(=O)C(=C(C)C)C43C(=O)O)C(O)C1OAglycone:
CC(C)=C1C(=O)C2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.59 | Num_heavy_atoms: | 36 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD55021
Formula: C20H26O5
Smiles:
CC(C)=C1C(=O)C2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
