Glycoside
GD142521
Name:
3-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-1-yl]-2-oxoethyl}-2,5-dihydrofuran-2-oneFormula:
C26H38O10Smiles:
C=C1CCC2C(C)(CO)C(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C1C(=O)CC1=CCOC1=OAglycone:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C(=O)CC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57348
Formula: C20H28O5
Smiles:
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C(=O)CC1=CCOC1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
