Glycoside
GD031638
Name:
AVERMECTIN A1Formula:
C49H74O14Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(C=C[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(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 887.12 | Num_heavy_atoms: | 63 |
| TPSA: | 159.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD20364
Formula: C35H50O8
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 598.78 | Num_heavy_atoms: | 43 |
| TPSA: | 103.68 | NumAromaticRings: | 0 |
