Glycoside
GD126133
Name:
Acutanguloside F Methyl EsterFormula:
C58H90O22Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 1139.34 | Num_heavy_atoms: | 80 |
| TPSA: | 336.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD11733
Formula: C40H62O7
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.93 | Num_heavy_atoms: | 47 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
