Glycoside
GD124940
Name:
methyl 3-ethenyl-4-{[6-({4-ethenyl-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-2-yl]methyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C33H44O18Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C4C(=O)OCCC4C3C=C)C(O)C(O)C2O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C4C(=O)OCCC4C3C=C)C(O)C(O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 728.7 | Num_heavy_atoms: | 51 |
| TPSA: | 247.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD50515
Formula: C27H34O13
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C4C(=O)OCCC4C3C=C)C(O)C(O)C2O1| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 168.67 | NumAromaticRings: | 0 |
