Glycoside
GD154058
Name:
4-(methoxycarbonyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 4-(2,2-dimethoxyethyl)-3-ethenyl-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(C(=O)OC)=COCC3C2C)C1CC(OC)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COCC3C2C)C1CC(OC)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.64 | Num_heavy_atoms: | 43 |
| TPSA: | 188.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD61226
Formula: C23H32O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COCC3C2C)C1CC(OC)OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.5 | Num_heavy_atoms: | 32 |
| TPSA: | 109.75 | NumAromaticRings: | 0 |
