Glycoside
GD137113
Name:
6-({5-carboxy-1,2,8,21,21,26-hexamethylheptacyclo[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:
C40H58O9Smiles:
CC12CC=CC3(C1)C1=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC(C)(C4C56C)C1(C)CCC3(C(=O)O)CC2Aglycone:
CC12CC=CC3(C1)C1=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C1(C)CCC3(C(=O)O)CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 682.89 | Num_heavy_atoms: | 49 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD55409
Formula: C34H50O3
Smiles:
CC12CC=CC3(C1)C1=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C1(C)CCC3(C(=O)O)CC2| HBA: | 3 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 506.77 | Num_heavy_atoms: | 37 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
