Glycoside
GD156643
Name:
NoneFormula:
C40H62O14Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4C5C(=O)C(O)=C(C(C)CC(=O)CC(C)C)C5(C)CCC43)C2)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 766.92 | Num_heavy_atoms: | 54 |
| TPSA: | 218.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD02879
Formula: C27H42O4
Smiles:
CC(C)CC(=O)CC(C)C1=C(O)C(=O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
