Glycoside
GD116689
Name:
AldecalmycinFormula:
C33H54O9Smiles:
CCC=C(C)C(O)C(C)C(CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CC=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC=C(C)C(O)C(C)C(O)CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 594.79 | Num_heavy_atoms: | 42 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46385
Formula: C27H44O4
Smiles:
CCC=C(C)C(O)C(C)C(O)CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CC=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
