Glycoside
GD142029
Name:
2-({5-[6-hydroxy-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:
C32H54O13Smiles:
C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 646.77 | Num_heavy_atoms: | 45 |
| TPSA: | 218.99 | 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 |
