Glycoside
GD150483
Name:
15-{5-hydroxy-6-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-7,7,12,16-tetramethyl-6,9-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl acetateFormula:
C49H82O18Smiles:
CC(=O)OC1CC2(C)C3CC(OC4OC(C)C(O)C(O)C4O)C4C(C)(C)C(OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)OC1OCC(O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 959.18 | Num_heavy_atoms: | 67 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50215
Formula: C32H54O6
Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
