Glycoside
GD108797
Name:
3-{[5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl]oxy}-3-oxopropanoic acidFormula:
C29H46O11Smiles:
C=C1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC/C(C)=C\COC(=O)CC(=O)OAglycone:
C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOC(=O)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.68 | Num_heavy_atoms: | 40 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD44488
Formula: C23H36O6
Smiles:
C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOC(=O)CC(=O)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.54 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
