Glycoside
GD119627
Name:
Ks 505AFormula:
C61H88O17Smiles:
COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CCC7C(C)(C(=O)O)C(OC8OC(C(=O)O)C(O)C(O)C8OC)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1Aglycone:
COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CCC7C(C)(C(=O)O)C(O)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1Sugarmoiety:
COC1C(O)OC(C(=O)O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 11 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 1093.36 | Num_heavy_atoms: | 78 |
| TPSA: | 265.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD47964
Formula: C54H78O11
Smiles:
COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CCC7C(C)(C(=O)O)C(O)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1| HBA: | 11 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 8.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 903.21 | Num_heavy_atoms: | 65 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
