Glycoside
GD117427
Name:
Acutanguloside CFormula:
C54H80O21Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.81 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 1065.21 | Num_heavy_atoms: | 75 |
| TPSA: | 341.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD46816
Formula: C37H54O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)c1ccccc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 594.83 | Num_heavy_atoms: | 43 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
