Glycoside
GD124530
Name:
3-[13-(acetyloxy)-7,7,12,16-tetramethyl-14-oxo-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-10-en-15-yl]-1-(3,3-dimethyloxiran-2-yl)butyl acetateFormula:
C39H58O11Smiles:
CC(=O)OC(CC(C)C1C(=O)C(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C)C1OC1(C)CAglycone:
CC(=O)OC(CC(C)C1C(=O)C(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 702.88 | Num_heavy_atoms: | 50 |
| TPSA: | 161.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD50313
Formula: C34H50O7
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)C| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.77 | Num_heavy_atoms: | 41 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
