Glycoside
GD142528
Name:
16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹â´,¹â¹]henicos-19-ene-12,17-dioneFormula:
C42H64O14Smiles:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 792.96 | Num_heavy_atoms: | 56 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD57351
Formula: C30H44O5
Smiles:
CC(C)=CC1CC(C)(O)C2C(CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
