Glycoside
GD118359
Name:
4,14,17-trihydroxy-7,7,12,16-tetramethyl-15-(6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl acetateFormula:
C38H62O11Smiles:
CC(=O)OC1CC(O)C23CC24CC(O)C2(C)C(C(C)CCC=C(C)COC5OC(CO)C(O)C(O)C5O)C(O)CC2(C)C4CCC3C1(C)CAglycone:
CC(=O)OC1CC(O)C23CC24CC(O)C2(C)C(C(C)CCC=C(C)CO)C(O)CC2(C)C4CCC3C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 694.9 | Num_heavy_atoms: | 49 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD47316
Formula: C32H52O6
Smiles:
CC(=O)OC1CC(O)C23CC24CC(O)C2(C)C(C(C)CCC=C(C)CO)C(O)CC2(C)C4CCC3C1(C)C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
