Glycoside
GD138148
Name:
NoneFormula:
C43H66O19SSmiles:
CC(=O)OC(C)(C)CCC(=O)C1(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(=O)OC(C)(C)CCC(=O)C1(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: | 19 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 919.05 | Num_heavy_atoms: | 63 |
| TPSA: | 291.57 | 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 |
AD55786
Formula: C32H48O8
Smiles:
CC(=O)OC(C)(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
