Glycoside
GD148536
Name:
NoneFormula:
C35H60O14SSmiles:
COC1C(O)C(CO)OC(OCC(C)C(C)C=CC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)C(O)C4C(OS(=O)(=O)O)CC23O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)C(C)COSugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 736.92 | Num_heavy_atoms: | 50 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD50186
Formula: C28H48O9S
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)C(C)CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.75 | Num_heavy_atoms: | 38 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
