Glycoside
GD123830
Name:
NoneFormula:
C40H70O16SSmiles:
COC1COC(CC2C(OC(CCC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(OS(=O)(=O)O)CC34O)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12OSugarmoiety:
COC1COC(CC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 14 |
| MolWt: | 839.05 | Num_heavy_atoms: | 57 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD06169
Formula: C27H48O9S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.74 | Num_heavy_atoms: | 37 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
