Glycoside
GD116097
Name:
Tenvermectin CFormula:
C46H70O14Smiles:
CCC1=CC2C(=O)OC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C4COC(C1O)C42O)OC1(CCC(C)C(C)O1)C3Aglycone:
CCC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1O)C42O)OC1(CCC(C)C(C)O1)C3Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 847.05 | Num_heavy_atoms: | 60 |
| TPSA: | 170.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD46049
Formula: C32H46O8
Smiles:
CCC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1O)C42O)OC1(CCC(C)C(C)O1)C3| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 558.71 | Num_heavy_atoms: | 40 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
