Glycoside
GD116539
Name:
6-{[6-({4-ethenyl-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-2-methyloxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C32H40O16Smiles:
C=CC1C(OC2OC(COC3OC(C)C(OC(=O)C=Cc4ccc(O)c(OC)c4)C(O)C3O)C(O)C(O)C2O)OC=C2C(=O)OCCC21Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.66 | Num_heavy_atoms: | 48 |
| TPSA: | 229.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD06795
Formula: C10H12O4
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
