Glycoside
GD119586
Name:
gordonoside dFormula:
C53H80O18Smiles:
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)(C)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)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 1005.21 | Num_heavy_atoms: | 71 |
| TPSA: | 274.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD47943
Formula: C42H64O8
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)(C)C5CCC43C)C2CC1(C)C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 7.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.97 | Num_heavy_atoms: | 50 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
