Glycoside
GD138856
Name:
19-(benzyloxy)-8,17-bis(hydroxymethyl)-2,8,15,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[11.11.3.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]heptacosa-11,21-diene-5-carboxylic acidFormula:
C46H64O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CC3C=CC6C(OCc7ccccc7)C(OC7OCC(O)C(O)C7O)C(C)(CO)C3C6(C)C45)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CC3C=CC6C(OCc7ccccc7)C(O)C(C)(CO)C3C6(C)C45)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 777.01 | Num_heavy_atoms: | 56 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD56022
Formula: C41H56O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CC3C=CC6C(OCc7ccccc7)C(O)C(C)(CO)C3C6(C)C45)C2C1| HBA: | 6 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 6.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 644.89 | Num_heavy_atoms: | 47 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
