Glycoside
GD152871
Name:
3-[2-(5-{[(3,4-dihydroxy-5-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxolan-3-yl)methoxy]methyl}-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl)ethyl]-2,5-dihydrofuran-2-oneFormula:
C31H48O12Smiles:
C=C1CCC2C(C)(COCC3(O)COC(OC4C(O)OC(CO)C(O)C4O)C3O)CCCC2(C)C1CCC1=CCOC1=OAglycone:
C=C1CCC2C(C)(COC)CCCC2(C)C1CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 612.71 | Num_heavy_atoms: | 43 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD60833
Formula: C21H32O3
Smiles:
C=C1CCC2C(C)(COC)CCCC2(C)C1CCC1=CCOC1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.76 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
