Glycoside
GD135274
Name:
1,2,6,6,10-pentamethyl-18-(3-methylbut-2-en-1-yl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-17,21-dioxapentacyclo[12.8.0.0²,¹¹.0âµ,¹â°.0¹âµ,¹â¹]docos-15(19)-ene-16,22-dioneFormula:
C42H64O14Smiles:
CC(C)=CCC1OC(=O)C2=C1COC(=O)C1(C)C2CCC2C3(C)CCC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC21CAglycone:
CC(C)=CCC1OC(=O)C2=C1COC(=O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC21CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 792.96 | Num_heavy_atoms: | 56 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD54701
Formula: C30H44O5
Smiles:
CC(C)=CCC1OC(=O)C2=C1COC(=O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
