Glycoside
GD157066
Name:
4-(acetyloxy)-6-[(acetyloxy)methyl]-3,5-dihydroxyoxan-2-yl 5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C30H44O9Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(COC(C)=O)C(O)C(OC(C)=O)C5O)CCCC4(C)C2CCC1C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 128.59 | 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 |
AD55028
Formula: C20H30O2
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
