Glycoside
GD131651
Name:
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]docosan-8-oneFormula:
C36H56O12Smiles:
CC1CC(=O)OC2CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12Aglycone:
CC1CC(=O)OC2CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC3(C)C12Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 680.83 | Num_heavy_atoms: | 48 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53322
Formula: C26H40O4
Smiles:
CC1CC(=O)OC2CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC3(C)C12| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.6 | Num_heavy_atoms: | 30 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
