Glycoside
GD139831
Name:
6-({5-carboxy-26-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-1,2,8,21,21-pentamethylheptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C47H67O9NSmiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C(C)(CCC6(C(=O)O)CCC7(C)CC=CC56C7)C(C)(CCC1C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C3)C42Aglycone:
CCc1c[nH]cc1CCC12C3CCC4C=C5C(C)(CCC6(C(=O)O)CCC7(C)CC=CC56C7)C(C)(CCC1C(C)(C)C(O)C3)C42Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 7.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 790.05 | Num_heavy_atoms: | 57 |
| TPSA: | 169.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD56393
Formula: C41H59O3N
Smiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C(C)(CCC6(C(=O)O)CCC7(C)CC=CC56C7)C(C)(CCC1C(C)(C)C(O)C3)C42| HBA: | 4 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 9.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 613.93 | Num_heavy_atoms: | 45 |
| TPSA: | 73.32 | NumAromaticRings: | 1 |
