Glycoside
GD115730
Name:
5-(1-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}ethenyl)-6-ethenyl-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-oneFormula:
C25H36O12Smiles:
C=CC1(C)CC2OC(=O)C(C)=C2CC1C(=C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
C=CC1(C)CC2OC(=O)C(C)=C2CC1C(=C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD45838
Formula: C14H18O3
Smiles:
C=CC1(C)CC2OC(=O)C(C)=C2CC1C(=C)O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.29 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
