Glycoside
GD126058
Name:
3-{6-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-13-hydroxy-7,7,12,16-tetramethyl-14-oxopentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-1-(3,3-dimethyloxiran-2-yl)butyl acetateFormula:
C43H68O15Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC45CC35CCC12C)C1OC1(C)CAglycone:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)CSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 825.0 | Num_heavy_atoms: | 58 |
| TPSA: | 234.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD12638
Formula: C32H50O6
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
