Glycoside
GD005531
Name:
9-formyl-2-({[4-(hexa-2,4-dienoyloxy)-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}methyl)-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0²,¹¹.0â´,â¸]tridec-12-ene-1-carboxylic acidFormula:
C33H46O9Smiles:
CC=CC=CC(=O)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]1OCAglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O.CC=CC=CC(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 586.72 | Num_heavy_atoms: | 42 |
| TPSA: | 128.59 | 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 |
AD04690
Formula: C6H8O2
Smiles:
CC=CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
