Glycoside
GD122751
Name:
NoneFormula:
C39H64O17SSmiles:
CCC(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4OC)C=C3C(O)CC12O)CCOC1OCC(O)C(O)C1OAglycone:
CCC(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)CCOSugarmoiety:
COC1C(O)OCC(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 836.99 | Num_heavy_atoms: | 57 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD49498
Formula: C28H46O9S
Smiles:
CCC(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)CCO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.73 | Num_heavy_atoms: | 38 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
