Glycoside
GD137041
Name:
methyl 4-[(7,8-dihydroxy-6-{[6-hydroxy-4-(methoxycarbonyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-2-yl)methyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C34H48O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C(C(=O)OC)C4CC(O)C(C)C34)C(O)C(O)C2O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C(C(=O)OC)C4CC(O)C(C)C34)C(O)C(O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 760.74 | Num_heavy_atoms: | 53 |
| TPSA: | 268.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD55383
Formula: C28H38O14
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C(C(=O)OC)C4CC(O)C(C)C34)C(O)C(O)C2O1| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.6 | Num_heavy_atoms: | 42 |
| TPSA: | 188.9 | NumAromaticRings: | 0 |
