Glycoside
GD146579
Name:
6-{[1,2,8,15,19,19-hexamethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)hexacyclo[12.8.0.0²,¹¹.0â´,â¸.0âµ,¹â°.0¹âµ,²â°]docos-11-en-18-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C41H62O14Smiles:
CC12CCC3(C(=O)OC4OC(CO)C(O)C(O)C4O)C(C1)C1=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C1(C)CC23Aglycone:
CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC23Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46888
Formula: C29H44O3
Smiles:
CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC23| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 440.67 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
