Glycoside
GD122528
Name:
19-(benzyloxy)-8,17-bis(hydroxymethyl)-13-(3-hydroxypropyl)-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:
C47H68O11Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC(CCCO)C4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(OC3OCC(O)C(O)C3O)C6OCc3ccccc3)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC(CCCO)C4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 809.05 | Num_heavy_atoms: | 58 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD49382
Formula: C42H60O7
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC(CCCO)C4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.94 | Num_heavy_atoms: | 49 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
