Glycoside
GD120082
Name:
5-{[1,4a,6-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C27H44O11Smiles:
CC1=CCC2C(C)(COC(=O)CC(C)(O)CC(=O)O)CCCC2(C)C1COC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CCC2C(C)(COC(=O)CC(C)(O)CC(=O)O)CCCC2(C)C1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.64 | Num_heavy_atoms: | 38 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48195
Formula: C21H34O6
Smiles:
CC1=CCC2C(C)(COC(=O)CC(C)(O)CC(=O)O)CCCC2(C)C1CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
