Glycoside
GD134911
Name:
NoneFormula:
C43H68O17SSmiles:
CC(=O)OC(C)(C)CCCC1(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)CCC13Aglycone:
CC(=O)OC(C)(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 889.07 | Num_heavy_atoms: | 61 |
| TPSA: | 254.27 | 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 |
AD45379
Formula: C32H50O6
Smiles:
CC(=O)OC(C)(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
