Glycoside
GD145117
Name:
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[2-hydroxy-5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,4a-dimethyl-6-methylidene-decahydronaphthalen-1-yl]methoxy}oxane-3,4,5-triolFormula:
C31H52O12Smiles:
C=C1CCC2C(C)(COC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCOAglycone:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 616.75 | Num_heavy_atoms: | 43 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD47757
Formula: C20H34O3
Smiles:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCO| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
