Glycoside
GD007376
Name:
AVERMECTIN A2Formula:
C49H76O15Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(CC(O)[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](OC)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 905.13 | Num_heavy_atoms: | 64 |
| TPSA: | 179.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD05487
Formula: C35H52O9
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
