Glycoside
GD124324
Name:
18-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2,9,10-trihydroxy-4,6,12,17,17-pentamethylhexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-en-8-oneFormula:
C37H56O13Smiles:
CC1CC(=O)C(O)C2(O)CC3(C)C4=CCC5C(C)(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)CCC56CC46C(O)CC3(C)C12Aglycone:
CC1CC(=O)C(O)C2(O)CC3(C)C4=CCC5C(C)(C)C(O)CCC56CC46C(O)CC3(C)C12Sugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 708.84 | Num_heavy_atoms: | 50 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50216
Formula: C27H40O5
Smiles:
CC1CC(=O)C(O)C2(O)CC3(C)C4=CCC5C(C)(C)C(O)CCC56CC46C(O)CC3(C)C12| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
