Glycoside
GD135578
Name:
8a-({[4-(hexa-2,4-dienoyloxy)-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}methyl)-7-methyl-1-(2-oxoethyl)-3-(propan-2-yl)-1,3a,4,4a,5,6,7,7a,8,8a-decahydro-s-indacene-3a-carboxylic acidFormula:
C33H48O9Smiles:
CC=CC=CC(=O)OC1C(O)C(OCC23CC4C(C)CCC4CC2(C(=O)O)C(C(C)C)=CC3CC=O)OC(C)C1OCAglycone:
CC(C)C1=CC(CC=O)C2(CO)CC3C(C)CCC3CC12C(=O)O.CC=CC=CC(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 588.74 | Num_heavy_atoms: | 42 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD54819
Formula: C20H30O4
Smiles:
CC(C)C1=CC(CC=O)C2(CO)CC3C(C)CCC3CC12C(=O)O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
