Glycoside
GD154260
Name:
5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-6-(3-methylbut-2-en-1-yl)-17-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4,7-dioxapentacyclo[11.8.0.0²,¹â°.0âµ,â¹.0¹â´,¹â¹]henicosane-3,8-dioneFormula:
C42H66O15Smiles:
CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(=O)OC12COAglycone:
CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(=O)OC12COSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 810.97 | Num_heavy_atoms: | 57 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD61293
Formula: C30H46O6
Smiles:
CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(=O)OC12CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
