Glycoside
GD142880
Name:
NoneFormula:
C40H62O15Smiles:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 782.92 | Num_heavy_atoms: | 55 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD52253
Formula: C28H44O4
Smiles:
CC(CC(=O)C(C)C(C)C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
