Glycoside
GD150325
Name:
Ascosteroside DFormula:
C35H54O9Smiles:
C=C1C(OC2OC(CO)C(O)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:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.81 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | 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 |
