Glycoside
GD127003
Name:
Yiamoloside BFormula:
C43H68O15Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 825.0 | Num_heavy_atoms: | 58 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD22932
Formula: C31H48O5
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
