Glycoside
GD141556
Name:
4,14,16-trihydroxy-5,5,14-trimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadecan-3-yl acetateFormula:
C28H44O11Smiles:
C=C1C2CCC3C(O)C2(CC(OC(C)=O)C2(O)C1CC(OC1OC(CO)C(O)C(O)C1O)C2(C)C)CC3(C)OAglycone:
C=C1C2CCC3C(O)C2(CC(OC(C)=O)C2(O)C1CC(O)C2(C)C)CC3(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 556.65 | Num_heavy_atoms: | 39 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD57015
Formula: C22H34O6
Smiles:
C=C1C2CCC3C(O)C2(CC(OC(C)=O)C2(O)C1CC(O)C2(C)C)CC3(C)O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 394.51 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
