Glycoside
GD135483
Name:
NoneFormula:
C41H66O17SSmiles:
CC(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OCC(OS(=O)(=O)O)C(O)C4OC4OC(C)C(O)C(O)C4O)C5(C)C)C2(C)CCC13OAglycone:
CC(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 863.03 | Num_heavy_atoms: | 59 |
| TPSA: | 268.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD54782
Formula: C30H48O6
Smiles:
CC(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
