Glycoside
GD149371
Name:
Sordarin-3-Carboxylic AcidFormula:
C27H40O9Smiles:
COC1C(C)OC(OCC23CC4C(C)CCC4C4(C(=O)O)CC2C=C(C(C)C)C34C(=O)O)C(O)C1OAglycone:
CC(C)C1=CC2CC3(C(=O)O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.61 | Num_heavy_atoms: | 36 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD59740
Formula: C20H28O5
Smiles:
CC(C)C1=CC2CC3(C(=O)O)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
