Glycoside
GD142762
Name:
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 12-(acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadec-14-ene-5-carboxylateFormula:
C36H50O13Smiles:
CC(=O)OCC1OC(OC(=O)C2(C)CCCC3(C)C4CC(OC(C)=O)C5(C)C=CC4(CCC23)C5)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC2C3(C=CC1(C)C3)CCC1C(C)(C(=O)O)CCCC21C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 690.78 | Num_heavy_atoms: | 49 |
| TPSA: | 167.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD57443
Formula: C22H32O4
Smiles:
CC(=O)OC1CC2C3(C=CC1(C)C3)CCC1C(C)(C(=O)O)CCCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
