Glycoside
GD155888
Name:
2-({5-[5,8a-dimethyl-2-methylidene-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O12Smiles:
C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC(C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 630.77 | Num_heavy_atoms: | 44 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD52188
Formula: C20H34O2
Smiles:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC(C)=CCO| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
