Glycoside
GD121469
Name:
19-(benzyloxy)-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C44H62O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(OC3OCC(O)C(O)C3O)C6OCc3ccccc3)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 750.97 | Num_heavy_atoms: | 54 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD48899
Formula: C39H54O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 6.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.86 | Num_heavy_atoms: | 45 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
