Glycoside
GD149319
Name:
gordonoside bFormula:
C53H80O19Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 1021.2 | Num_heavy_atoms: | 72 |
| TPSA: | 294.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD59718
Formula: C42H64O9
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.96 | Num_heavy_atoms: | 51 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
