Glycoside
GD135501
Name:
1-[18-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-7-en-8-yl]-2-methylpropan-1-oneFormula:
C40H62O12Smiles:
CC(C)C(=O)C1=CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CC(C)C(=O)C1=CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 734.92 | Num_heavy_atoms: | 52 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD54788
Formula: C30H46O4
Smiles:
CC(C)C(=O)C1=CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
