Glycoside
GD135508
Name:
NoneFormula:
C41H64O17SSmiles:
CC1(C)CCC(C2(C)OC(=O)C34CC=C5C(CCC6C5(C)CCC(OC5OCC(OS(=O)(=O)O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C6(C)C)C3(C)CCC24O)O1Aglycone:
CC1(C)CCC(C2(C)OC(=O)C34CC=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1.O=S(=O)(O)OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 861.01 | Num_heavy_atoms: | 59 |
| TPSA: | 257.43 | 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 |
AD54790
Formula: C30H46O5
Smiles:
CC1(C)CCC(C2(C)OC(=O)C34CC=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
