Glycoside
GD158138
Name:
Sordarin EFormula:
C27H38O9Smiles:
COC1C(C)OC(OCC23CC4C(C)CCC4C4(C=O)CC2C(=O)C2(CC2C)C43C(=O)O)C(O)C1OAglycone:
CC1CCC2C1CC1(CO)C3CC2(C=O)C1(C(=O)O)C1(CC1C)C3=OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.59 | Num_heavy_atoms: | 36 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD62442
Formula: C20H26O5
Smiles:
CC1CCC2C1CC1(CO)C3CC2(C=O)C1(C(=O)O)C1(CC1C)C3=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
