Glycoside
GD124302
Name:
NoneFormula:
C33H58O13SSmiles:
COC1C(COS(=O)(=O)O)OC(OC(CCC(C)C2C(O)C(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)CC23O)C(C)C)C1OAglycone:
CC(C)C(O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O.COS(=O)(=O)OSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 694.88 | Num_heavy_atoms: | 47 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD50208
Formula: C27H48O6
Smiles:
CC(C)C(O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
