Glycoside
GD001327
Name:
AVERMECTIN B2 MONOSACCHARIDEFormula:
C40H60O12Smiles:
COC1CC(O[C@@H]2C(C)=CC[C@@H]3C[C@H](C[C@]4(CC(O)[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(CC(O)C(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: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 732.91 | Num_heavy_atoms: | 52 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00842
Formula: C33H48O9
Smiles:
CC1=CCC2CC(CC3(CC(O)C(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 588.74 | Num_heavy_atoms: | 42 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
