Glycoside
GD126780
Name:
NoneFormula:
C41H72O18SSmiles:
COC1COC(OC2C(OCCC(CCC(C)C3C(O)C(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(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12OSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 16 |
| MolWt: | 885.08 | Num_heavy_atoms: | 60 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD04873
Formula: C29H52O10S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.79 | Num_heavy_atoms: | 40 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
