Glycoside
GD145656
Name:
2-({4-hydroxy-1-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,2,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-4a-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O9Smiles:
CC1=CCCC2C(C)(CCC(=CCO)CO)C(C)CC(O)C12COC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CCCC2C(C)(CCC(=CCO)CO)C(C)CC(O)C12COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58445
Formula: C20H34O4
Smiles:
CC1=CCCC2C(C)(CCC(=CCO)CO)C(C)CC(O)C12CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
