Glycoside
GD144628
Name:
NoneFormula:
C32H56O11SSmiles:
CC(C)C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)OC1OCC(OS(=O)(=O)O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C.O=S(=O)(O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.86 | Num_heavy_atoms: | 44 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD13821
Formula: C27H48O4
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.68 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
