Glycoside
GD140656
Name:
9-hydroxy-7,7,12,16-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl acetateFormula:
C37H62O11Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)CC(O)C(O)C(C)(C)OAglycone:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CC(O)C(O)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 682.89 | Num_heavy_atoms: | 48 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56709
Formula: C32H54O7
Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CC(O)C(O)C(C)(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.78 | Num_heavy_atoms: | 39 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
