Glycoside
GD018375
Name:
NoneFormula:
C37H54O9Smiles:
CC=CC=C(O[C@@H]1[C@H](O)[C@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)O[C@H](C)[C@H]1O)C(=O)C(CC)CCAglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O.CC=CC=C(O)C(=O)C(CC)CCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 642.83 | Num_heavy_atoms: | 46 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00440
Formula: C20H28O4
Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD12976
Formula: C11H18O2
Smiles:
CC=CC=C(O)C(=O)C(CC)CC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
