Glycoside
GD134245
Name:
Ascosteroside BFormula:
C36H56O9Smiles:
C=C1C(OC2OC(CO)C(OC)C(O)C2O)CCC2(C)C3=C(CCC12)C1(C(=O)O)C(O)CC(C(C)CCC=C(C)C)C1(C)CC3Aglycone:
C=C1C(O)CCC2(C)C3=C(CCC12)C1(C(=O)O)C(O)CC(C(C)CCC=C(C)C)C1(C)CC3Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54313
Formula: C29H44O4
Smiles:
C=C1C(O)CCC2(C)C3=C(CCC12)C1(C(=O)O)C(O)CC(C(C)CCC=C(C)C)C1(C)CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.67 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
