Glycoside
GD123517
Name:
NoneFormula:
C40H68O19SSmiles:
COC1C(OC2C(OCC(C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(OS(=O)(=O)O)CC34O)C(C)CO)OC(C(O)CO)C2O)OCC(O)C1OAglycone:
CC(C=CC(CO)C(C)CO)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12OSugarmoiety:
COC1C(OC2C(O)OC(C(O)CO)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 885.03 | Num_heavy_atoms: | 60 |
| TPSA: | 312.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD49856
Formula: C28H48O10S
Smiles:
CC(C=CC(CO)C(C)CO)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 576.75 | Num_heavy_atoms: | 39 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
