Glycoside
GD154347
Name:
NoneFormula:
C31H52O12SSmiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)CC3C(O)CC12O)COS(=O)(=O)OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COS(=O)(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.81 | Num_heavy_atoms: | 44 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61317
Formula: C26H44O8S
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COS(=O)(=O)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.7 | Num_heavy_atoms: | 35 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
