Glycoside
GD130015
Name:
3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl 3-ethenyl-4-[2-(oxiran-2-yl)ethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C29H42O14Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(COC(O)C3C(=O)OC)C2C)C1CCC1CO1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(COC(O)C3C(=O)OC)C2C)C1CCC1CO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 614.64 | Num_heavy_atoms: | 43 |
| TPSA: | 203.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD52677
Formula: C23H32O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(COC(O)C3C(=O)OC)C2C)C1CCC1CO1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.5 | Num_heavy_atoms: | 32 |
| TPSA: | 124.05 | NumAromaticRings: | 0 |
