Glycoside
GD156636
Name:
6-[2-(3,4-dimethoxyphenyl)ethoxy]-5-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C37H50O20Smiles:
COc1ccc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1OCAglycone:
COc1ccc(CCO)cc1OC.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 814.79 | Num_heavy_atoms: | 57 |
| TPSA: | 302.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD54230
Formula: C10H14O3
Smiles:
COc1ccc(CCO)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
