Glycoside
GD124833
Name:
NoneFormula:
C36H64O13SSmiles:
COC1COC(OC2CCC3(C)C(C2)C(O)CC2(O)C3CCC3(C)C(C(C)CCC(CCO)C(C)C)C(O)C(OS(=O)(=O)O)C32)C(OC)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1COC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 736.96 | Num_heavy_atoms: | 50 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD48515
Formula: C29H52O9S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.79 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
