Glycoside
GD123531
Name:
15-(5,6-dihydroxy-6-methylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-9-yl acetateFormula:
C37H62O10Smiles:
CC(=O)OC1CC2C3(C)CC(O)C(C(C)CCC(O)C(C)(C)O)C3(C)CCC23CC32CCC(OC3OCC(O)C(O)C3O)C(C)(C)C12Aglycone:
CC(=O)OC1CC2C3(C)CC(O)C(C(C)CCC(O)C(C)(C)O)C3(C)CCC23CC32CCC(O)C(C)(C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.89 | Num_heavy_atoms: | 47 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49865
Formula: C32H54O6
Smiles:
CC(=O)OC1CC2C3(C)CC(O)C(C(C)CCC(O)C(C)(C)O)C3(C)CCC23CC32CCC(O)C(C)(C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
