Glycoside
GD142515
Name:
2-[({3-hydroxy-5-methoxy-6-methyl-4-[(2-methylhexa-2,4-dienoyl)oxy]oxan-2-yl}oxy)methyl]-9-(hydroxymethyl)-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0²,¹¹.0â´,â¸]tridec-12-ene-1-carboxylic acidFormula:
C34H50O9Smiles:
CC=CC=C(C)C(=O)OC1C(O)C(OCC23CC4C(C)CCC4C4(CO)CC2C=C(C(C)C)C34C(=O)O)OC(C)C1OCAglycone:
CC(C)C1=CC2CC3(CO)C4CCC(C)C4CC2(CO)C13C(=O)O.CC=CC=C(C)C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.77 | Num_heavy_atoms: | 43 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD02488
Formula: C7H10O2
Smiles:
CC=CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.15 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD57345
Formula: C20H30O4
Smiles:
CC(C)C1=CC2CC3(CO)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
