Glycoside
GD116108
Name:
NoneFormula:
C36H50O11Smiles:
COC1OC(C)C(OCC23CC4C(C)CCC4C4(C=O)CC2C=C(C(C)C)C43C(=O)O)C(O)C1OC(=O)C(C)=CC1OC1C1OC1CAglycone:
CC(=CC1OC1C1OC1C)C(=O)O.CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 658.79 | Num_heavy_atoms: | 47 |
| TPSA: | 153.65 | 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 |
AD46055
Formula: C9H12O4
Smiles:
CC(=CC1OC1C1OC1C)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 62.36 | NumAromaticRings: | 0 |
