Glycoside
GD006163
Name:
AVERMECTIN B1 MONOSACCHARIDEFormula:
C40H58O11Smiles:
COC1CC(O[C@@H]2C(C)=CC[C@@H]3C[C@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@H]2C)[C@@]43O)OC(C)C1OAglycone:
CC1=CCC2CC(CC3(C=CC(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 714.89 | Num_heavy_atoms: | 51 |
| TPSA: | 142.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00545
Formula: C33H46O8
Smiles:
CC1=CCC2CC(CC3(C=CC(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 570.72 | Num_heavy_atoms: | 41 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
