Glycoside
GD148948
Name:
6-{[2,21-dihydroxy-19-(hydroxymethyl)-3,4,8,8,12,19-hexamethyl-22-{[(2-methylbut-2-enoyl)oxy]methyl}-23-oxahexacyclo[18.2.1.0³,¹â¶.0â´,¹³.0â·,¹².0¹â·,²²]tricos-15-en-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C41H62O13Smiles:
CC=C(C)C(=O)OCC12C3CC(C)(CO)C(OC1C(O)C1(C)C3=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(O)C5O)C(C)(C)C4CCC31C)C2OAglycone:
CC=C(C)C(=O)OCC12C3CC(C)(CO)C(OC1C(O)C1(C)C3=CCC3C4(C)CCC(O)C(C)(C)C4CCC31C)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 762.93 | Num_heavy_atoms: | 54 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD59573
Formula: C35H54O7
Smiles:
CC=C(C)C(=O)OCC12C3CC(C)(CO)C(OC1C(O)C1(C)C3=CCC3C4(C)CCC(O)C(C)(C)C4CCC31C)C2O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
