Glycoside
GD142648
Name:
15-(5-hydroxy-4-oxopentan-2-yl)-7,7,12,16-tetramethyl-14-oxo-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-17-yl acetateFormula:
C34H52O10Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC(=O)C(C(C)CC(=O)CO)C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC(=O)C(C(C)CC(=O)CO)C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD57405
Formula: C29H44O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC(=O)C(C(C)CC(=O)CO)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.67 | Num_heavy_atoms: | 35 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
