Glycoside
GD125931
Name:
NoneFormula:
C40H68O18SSmiles:
COC1COC(OC2C(OC(C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(OS(=O)(=O)O)CC34O)C(C)C)OC(C(O)CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12OSugarmoiety:
COC1COC(OC2C(O)OC(C(O)CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 869.03 | Num_heavy_atoms: | 59 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD50932
Formula: C27H46O9S
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.72 | Num_heavy_atoms: | 37 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
