Glycoside
GD007060
Name:
3-[2-(5-{[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl)ethyl]-2,5-dihydrofuran-2-oneFormula:
C31H48O12Smiles:
C=C1CC[C@H]2[C@](C)(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=OAglycone:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)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
AD02290
Formula: C20H30O3
Smiles:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
