Glycoside
GD149358
Name:
Avermectin-H2B1BFormula:
C47H72O14Smiles:
COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(CCC(C)C(C(C)C)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1OAglycone:
CC1=CCC2CC(CC3(CCC(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23OSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 861.08 | Num_heavy_atoms: | 61 |
| TPSA: | 170.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00543
Formula: C33H48O8
Smiles:
CC1=CCC2CC(CC3(CCC(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: | 0.73 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 572.74 | Num_heavy_atoms: | 41 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
